# # This is the NASA thermodynamic database, which is available for download # from http://www.galcit.caltech.edu/EDL/public/thermo.html. The original # sources are # # S. Gordon and B.J. McBride, "Computer Program for Calculation of Complex # Chemical Equilibrium Composition, Rocket Performance, Incident and # Reflected Shocks and Chapman-Jouguet Detonations", NASA Report SP-273, 1971. # # B.J. McBride, S. Gordon, and M.A. Reno, "Coefficients for Calculating # Thermodynamic and Transport Properties of Individual Species", NASA # Report TM-4513, October 1993. # #----------------------------------------------------------------------------- species(name = "Electron", atoms = " E:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, -1.172469020E+01] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, -1.172469020E+01] ) ) # note = "gas L10/92" ) species(name = "AL", atoms = " Al:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.111124330E+00, -3.593823100E-03, 8.147493130E-06, -8.088089660E-09, 2.931324630E-12, 3.882833900E+04, 2.840457240E+00] ), NASA( [ 1000.00, 6000.00], [ 2.533857010E+00, -4.658594920E-05, 2.827980480E-08, -8.543620130E-12, 1.022079830E-15, 3.890456620E+04, 5.379841730E+00] ) ) # note = "J 6/83" ) species(name = "AL+", atoms = " Al:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.090281410E+05, 3.791005860E+00] ), NASA( [ 1000.00, 6000.00], [ 2.512153370E+00, -2.610113000E-05, 1.903604630E-08, -5.688814930E-12, 6.005299950E-16, 1.090239950E+05, 3.725382610E+00] ) ) # note = "J 6/83" ) species(name = "AL-", atoms = " Al:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.647318980E+00, -7.203715920E-04, 1.025396120E-06, -3.511181970E-11, -2.389329740E-13, 3.300492520E+04, 5.308766650E+00] ), NASA( [ 1000.00, 6000.00], [ 2.189634890E+00, 8.034462110E-04, -3.793895350E-07, 6.900598530E-11, -4.398841160E-15, 3.309602600E+04, 7.555571870E+00] ) ) # note = "J 6/83" ) species(name = "ALBO2", atoms = " Al:1 B:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.308723400E+00, 1.889053900E-02, -2.063334800E-05, 1.025132400E-08, -1.694128300E-12, -6.648216700E+04, 1.447701850E+01] ), NASA( [ 1000.00, 5000.00], [ 7.172299500E+00, 2.978074100E-03, -1.243110700E-06, 2.318877900E-10, -1.604120800E-14, -6.768368200E+04, -9.981739760E+00] ) ) # note = "J 6/66" ) species(name = "ALBr", atoms = " Al:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.490061100E+00, 4.547679700E-03, -8.193557800E-06, 6.866615200E-09, -2.176505800E-12, 7.294530600E+02, 7.886647570E+00] ), NASA( [ 1000.00, 5000.00], [ 4.382242400E+00, 2.120070700E-04, -7.076444700E-08, 1.065901800E-11, 1.483026600E-16, 5.761684900E+02, 3.739108570E+00] ) ) # note = "J 9/79" ) species(name = "ALBr3", atoms = " Al:1 Br:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.253720600E+00, 1.608021700E-02, -2.865975800E-05, 2.361607600E-08, -7.393131400E-12, -5.173521100E+04, 2.683658070E+00] ), NASA( [ 1000.00, 5000.00], [ 9.615059000E+00, 4.446854600E-04, -1.990298300E-07, 3.925181800E-11, -2.842797500E-15, -5.234954400E+04, -1.311910900E+01] ) ) # note = "J 9/79" ) species(name = "ALC", atoms = " Al:1 C:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.642248300E+00, 6.446516100E-03, -9.589237600E-06, 6.904080500E-09, -1.943077900E-12, 8.192987400E+04, 1.026736200E+01] ), NASA( [ 1000.00, 5000.00], [ 4.156447800E+00, 4.469249000E-04, -1.746704000E-07, 3.430433600E-11, -2.477270600E-15, 8.160660500E+04, 2.904725210E+00] ) ) # note = "J 6/63" ) species(name = "ALCL", atoms = " Al:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.122228600E+00, 5.928047400E-03, -1.041583200E-05, 8.555106500E-09, -2.672238000E-12, -7.307583900E+03, 8.253356140E+00] ), NASA( [ 1000.00, 5000.00], [ 4.339527100E+00, 2.483887400E-04, -8.292185200E-08, 1.234231900E-11, -2.375581800E-17, -7.528108100E+03, 2.537294240E+00] ) ) # note = "J 9/79" ) species(name = "ALCL+", atoms = " Al:1 Cl:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.869835200E+00, 6.653458600E-03, -1.132770700E-05, 9.070297400E-09, -2.779464000E-12, 1.025974100E+05, 1.001995260E+01] ), NASA( [ 1000.00, 5000.00], [ 4.628496500E+00, -3.475053500E-04, 2.299735100E-07, -2.427979800E-11, -2.644054400E-16, 1.022044700E+05, 1.430399890E+00] ) ) # note = "J 6/76" ) species(name = "ALCLF", atoms = " Al:1 Cl:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.217596800E+00, 1.452454900E-02, -2.392248800E-05, 1.862160900E-08, -5.590366700E-12, -6.030550800E+04, 1.227181850E+01] ), NASA( [ 1000.00, 5000.00], [ 6.426262200E+00, 6.786116800E-04, -3.118639200E-07, 6.214237900E-11, -4.251957300E-15, -6.093876900E+04, -3.062270760E+00] ) ) # note = "J 6/76" ) species(name = "ALCLF+", atoms = " Al:1 Cl:1 F:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.734129200E+00, 1.388904300E-02, -2.222253900E-05, 1.693768300E-08, -5.006134200E-12, 3.164775500E+04, 6.669147470E+00] ), NASA( [ 1000.00, 5000.00], [ 6.883590500E+00, 7.050936600E-04, -3.136608800E-07, 6.160731000E-11, -4.449053700E-15, 3.100599000E+04, -8.482113530E+00] ) ) # note = "J 6/76" ) species(name = "ALCLF2", atoms = " Al:1 Cl:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.490524500E+00, 2.341062200E-02, -3.673080200E-05, 2.757748500E-08, -8.057087400E-12, -1.219785700E+05, 1.035983440E+01] ), NASA( [ 1000.00, 5000.00], [ 8.867454400E+00, 1.293331900E-03, -5.746879600E-07, 1.127841900E-10, -8.139815400E-15, -1.230925000E+05, -1.560078460E+01] ) ) # note = "J 6/76" ) species(name = "ALCL2", atoms = " Al:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.933674100E+00, 1.292891800E-02, -2.276799200E-05, 1.860551500E-08, -5.790027900E-12, -3.529661900E+04, 9.401866760E+00] ), NASA( [ 1000.00, 5000.00], [ 6.641413300E+00, 4.339190700E-04, -2.034245600E-07, 4.090013500E-11, -2.720937500E-15, -3.579468900E+04, -3.348439040E+00] ) ) # note = "J 6/76" ) species(name = "ALCL2+", atoms = " Al:1 Cl:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.356112800E+00, 1.264061200E-02, -2.155406000E-05, 1.722275300E-08, -5.274447300E-12, 5.616973600E+04, 4.493047380E+00] ), NASA( [ 1000.00, 5000.00], [ 7.095457700E+00, 4.652547000E-04, -2.076647900E-07, 4.087990600E-11, -2.956891400E-15, 5.564377500E+04, -8.518098620E+00] ) ) # note = "J 6/76" ) species(name = "ALCL2-", atoms = " Al:1 Cl:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.251094600E+00, 1.196856200E-02, -2.153822900E-05, 1.786923000E-08, -5.622075300E-12, -5.951306100E+04, 7.393261850E+00] ), NASA( [ 1000.00, 5000.00], [ 6.712561800E+00, 3.465683600E-04, -1.588435400E-07, 2.995006300E-11, -1.654481500E-15, -5.995425700E+04, -4.136329150E+00] ) ) # note = "J 6/76" ) species(name = "ALCL2F", atoms = " Al:1 Cl:2 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.255166400E+00, 2.201678900E-02, -3.627698600E-05, 2.827484200E-08, -8.501109500E-12, -9.708888700E+04, 8.024887650E+00] ), NASA( [ 1000.00, 5000.00], [ 9.147606700E+00, 9.766915900E-04, -4.348867600E-07, 8.546407500E-11, -6.173947400E-15, -9.806028700E+04, -1.537911970E+01] ) ) # note = "J 6/76" ) species(name = "ALCL3", atoms = " Al:1 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.913266500E+00, 2.103186400E-02, -3.654693100E-05, 2.958681200E-08, -9.145100500E-12, -7.244105600E+04, 4.942996040E+00] ), NASA( [ 1000.00, 5000.00], [ 9.404108300E+00, 6.864187200E-04, -3.066385000E-07, 6.039150900E-11, -4.369357400E-15, -7.328581300E+04, -1.629638310E+01] ) ) # note = "J 9/79" ) species(name = "ALF", atoms = " Al:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.647292500E+00, 6.082268600E-03, -8.596342900E-06, 5.897983700E-09, -1.588676500E-12, -3.294926000E+04, 9.313912430E+00] ), NASA( [ 1000.00, 5000.00], [ 4.126139500E+00, 4.626805400E-04, -1.747773300E-07, 3.001548400E-11, -1.532884100E-15, -3.327593800E+04, 2.066407430E+00] ) ) # note = "J 9/79" ) species(name = "ALF+", atoms = " Al:1 F:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.725305300E+00, 4.812031300E-03, -5.441171900E-06, 2.743908400E-09, -3.587519200E-13, 8.225046800E+04, 9.723361090E+00] ), NASA( [ 1000.00, 5000.00], [ 3.352218600E+00, 1.310386700E-03, -1.431838300E-07, -4.544233000E-11, 7.342074900E-15, 8.223250000E+04, 7.083708390E+00] ) ) # note = "J 6/76" ) species(name = "ALF2", atoms = " Al:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.740846500E+00, 1.446674500E-02, -2.152061900E-05, 1.541198900E-08, -4.322979700E-12, -8.483459400E+04, 1.267668180E+01] ), NASA( [ 1000.00, 5000.00], [ 6.157930000E+00, 9.813228700E-04, -4.453502800E-07, 8.820596000E-11, -6.126225500E-15, -8.556647900E+04, -3.951192330E+00] ) ) # note = "J 6/76" ) species(name = "ALF2+", atoms = " Al:1 F:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.123917600E+00, 1.452305600E-02, -2.131544300E-05, 1.515613300E-08, -4.237409600E-12, 9.654507200E+03, 7.474176450E+00] ), NASA( [ 1000.00, 5000.00], [ 6.592539400E+00, 1.031948900E-03, -4.573944000E-07, 8.962059900E-11, -6.460982500E-15, 8.899194300E+03, -9.459697650E+00] ) ) # note = "J 6/76" ) species(name = "ALF2-", atoms = " Al:1 F:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.671535000E+00, 1.560194400E-02, -2.441932200E-05, 1.825316900E-08, -5.306477500E-12, -1.105086000E+05, 1.233823370E+01] ), NASA( [ 1000.00, 5000.00], [ 6.266674500E+00, 8.371117200E-04, -3.684002100E-07, 7.015047700E-11, -4.687629800E-15, -1.112529000E+05, -5.021179660E+00] ) ) # note = "J 6/76" ) species(name = "ALF2O", atoms = " Al:1 F:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.087409000E+00, 2.383323900E-02, -3.606298300E-05, 2.626891900E-08, -7.485676000E-12, -1.350654000E+05, 1.189367180E+01] ), NASA( [ 1000.00, 5000.00], [ 8.820562200E+00, 1.254869400E-03, -5.452446500E-07, 1.203686000E-10, -9.648359900E-15, -1.363066800E+05, -1.604287220E+01] ) ) # note = "J 6/76" ) species(name = "ALF2O-", atoms = " Al:1 F:2 O:1 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.919759700E+00, 2.409401300E-02, -3.608094400E-05, 2.606784800E-08, -7.380837900E-12, -1.591815200E+05, 1.183108220E+01] ), NASA( [ 1000.00, 5000.00], [ 8.614278600E+00, 1.578459600E-03, -7.002911500E-07, 1.372921200E-10, -9.901398500E-15, -1.604033600E+05, -1.587925080E+01] ) ) # note = "J 6/76" ) species(name = "ALF3", atoms = " Al:1 F:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.102854120E+00, 2.234557650E-02, -3.145886900E-05, 2.115820730E-08, -5.538960730E-12, -1.471267970E+05, 1.015970690E+01] ), NASA( [ 1000.00, 6000.00], [ 8.728972290E+00, 1.314285590E-03, -5.175995810E-07, 8.867827890E-11, -5.528373630E-15, -1.483903300E+05, -1.750366610E+01] ) ) # note = "J 9/79" ) species(name = "ALF4-", atoms = " Al:1 F:4 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.587859300E+00, 3.993044100E-02, -6.573691400E-05, 5.116305500E-08, -1.535869500E-11, -2.415964900E+05, 1.130157700E+01] ), NASA( [ 1000.00, 5000.00], [ 1.147145100E+01, 1.752578600E-03, -7.806422700E-07, 1.534447400E-10, -1.108637400E-14, -2.433603600E+05, -3.119807500E+01] ) ) # note = "J 6/76" ) species(name = "ALH", atoms = " Al:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.657685700E+00, -1.974469800E-03, 6.866339800E-06, -6.204140400E-09, 1.866310300E-12, 3.014645800E+04, 2.088511030E+00] ), NASA( [ 1000.00, 5000.00], [ 3.336689800E+00, 1.287786400E-03, -4.986994100E-07, 9.229463300E-11, -6.345169400E-15, 3.009176100E+04, 3.095488230E+00] ) ) # note = "J 6/63" ) species(name = "ALI", atoms = " Al:1 I:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.376193860E+00, 6.203580000E-03, -1.334379880E-05, 1.289780400E-08, -4.592625080E-12, 6.984689440E+03, 9.209802770E+00] ), NASA( [ 1000.00, 6000.00], [ 4.300678350E+00, 3.945267980E-04, -1.947178770E-07, 4.317665940E-11, -2.509959420E-15, 6.877338390E+03, 5.195549900E+00] ) ) # note = "J 9/79" ) species(name = "ALI3", atoms = " Al:1 I:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.976129800E+00, 1.321277800E-02, -2.382907300E-05, 1.979639300E-08, -6.233627600E-12, -2.574158500E+04, 2.147667160E+00] ), NASA( [ 1000.00, 5000.00], [ 9.709249600E+00, 3.366469200E-04, -1.509485400E-07, 2.981315800E-11, -2.161799400E-15, -2.623399600E+04, -1.066399430E+01] ) ) # note = "J 9/79" ) species(name = "ALN", atoms = " Al:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.644865000E+00, 6.541687600E-03, -9.862533900E-06, 7.188232300E-09, -2.044484500E-12, 6.189738200E+04, 1.084786440E+01] ), NASA( [ 1000.00, 5000.00], [ 4.145046800E+00, 4.856096200E-04, -2.012640900E-07, 4.125948800E-11, -2.885430800E-15, 6.158324000E+04, 3.582342980E+00] ) ) # note = "J12/79" ) species(name = "ALO", atoms = " Al:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.811610300E+00, 3.958426100E-03, -3.369530400E-06, 6.733049700E-10, 4.008945500E-13, 7.065503700E+03, 9.208957530E+00] ), NASA( [ 1000.00, 5000.00], [ 3.313906400E+00, 1.045242100E-03, 2.748553300E-07, -1.792860600E-10, 1.998781300E-14, 7.094333600E+03, 7.209634230E+00] ) ) # note = "J12/79" ) species(name = "ALO+", atoms = " Al:1 O:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.941443400E+00, 5.259216800E-03, -7.343907300E-06, 5.331678300E-09, -1.578333600E-12, 1.183746900E+05, 9.735382520E+00] ), NASA( [ 1000.00, 5000.00], [ 4.190846700E+00, 6.935819800E-04, -3.445999900E-07, 7.617232700E-11, -5.903240000E-15, 1.180743900E+05, 3.529519820E+00] ) ) # note = "J12/79" ) species(name = "ALO-", atoms = " Al:1 O:1 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.722675400E+00, 4.947551800E-03, -5.757175400E-06, 3.142440000E-09, -6.415283200E-13, -3.339129600E+04, 8.836313720E+00] ), NASA( [ 1000.00, 5000.00], [ 4.038055500E+00, 5.583711000E-04, -2.188866500E-07, 3.853302400E-11, -2.109555000E-15, -3.371008900E+04, 2.244806520E+00] ) ) # note = "J12/79" ) species(name = "ALOCL", atoms = " Al:1 O:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.244440900E+00, 1.411700500E-02, -1.932203800E-05, 1.196279800E-08, -2.706918000E-12, -4.331234300E+04, 8.005372110E+00] ), NASA( [ 1000.00, 5000.00], [ 6.780520000E+00, 7.966282200E-04, -3.423335500E-07, 6.502264800E-11, -4.551919700E-15, -4.408083200E+04, -9.300140390E+00] ) ) # note = "J 9/64" ) species(name = "ALOF", atoms = " Al:1 O:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.039146100E+00, 1.894876200E-02, -2.897877000E-05, 2.136094100E-08, -6.157987300E-12, -7.118233300E+04, 1.238659820E+01] ), NASA( [ 1000.00, 5000.00], [ 6.452162200E+00, 1.192659500E-03, -5.289313700E-07, 1.036781100E-10, -7.476536700E-15, -7.211636300E+04, -9.018127810E+00] ) ) # note = "J12/75" ) species(name = "ALOH", atoms = " Al:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.613221100E+00, 2.771689400E-03, 7.415783000E-06, -1.135460200E-08, 4.556955900E-12, -2.258679700E+04, 1.007533030E+01] ), NASA( [ 1000.00, 5000.00], [ 3.686067400E+00, 3.363682200E-03, -1.246624400E-06, 2.138220500E-10, -1.389831900E-14, -2.304610500E+04, 3.690155590E+00] ) ) # note = "J12/67" ) species(name = "ALOH+", atoms = " Al:1 O:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.960343900E+00, 7.919114000E-03, -2.285795900E-06, -4.010378900E-09, 2.570759600E-12, 6.451018500E+04, 1.410617760E+01] ), NASA( [ 1000.00, 5000.00], [ 4.150198700E+00, 2.892521200E-03, -1.056541400E-06, 1.794516700E-10, -1.158701400E-14, 6.389288800E+04, 2.640138120E+00] ) ) # note = "J12/67" ) species(name = "ALOH-", atoms = " Al:1 O:1 H:1 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.913020400E+00, 5.953071500E-03, -3.055805400E-06, -1.259870900E-09, 1.288609400E-12, -2.878182700E+04, 1.062246690E+01] ), NASA( [ 1000.00, 5000.00], [ 4.301071800E+00, 2.166850300E-03, -7.398864500E-07, 1.182105500E-10, -7.220884100E-15, -2.913409500E+04, 3.527007550E+00] ) ) # note = "J12/67" ) species(name = "ALO2", atoms = " Al:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.254514800E+00, 1.427584400E-02, -2.110324800E-05, 1.505625900E-08, -4.214261400E-12, -1.181258200E+04, 8.302554930E+00] ), NASA( [ 1000.00, 5000.00], [ 6.606464100E+00, 1.080225200E-03, -5.222934400E-07, 1.132422000E-10, -8.529096800E-15, -1.253243200E+04, -8.017175870E+00] ) ) # note = "J12/79" ) species(name = "ALO2-", atoms = " Al:1 O:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.081203800E+00, 1.303965400E-02, -1.711992200E-05, 1.097870000E-08, -2.794212000E-12, -6.020620300E+04, 7.501566860E+00] ), NASA( [ 1000.00, 5000.00], [ 6.368748200E+00, 1.279203000E-03, -5.650399100E-07, 1.104637900E-10, -7.951244200E-15, -6.097200900E+04, -8.798795040E+00] ) ) # note = "J12/79" ) species(name = "ALO2H", atoms = " Al:1 O:2 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.480045600E+00, 1.614926400E-02, -1.603352400E-05, 6.446616600E-09, -4.099476900E-13, -5.668275900E+04, 1.230707100E+01] ), NASA( [ 1000.00, 5000.00], [ 6.426434600E+00, 3.223036200E-03, -1.213934800E-06, 2.107450000E-10, -1.382800000E-14, -5.762615400E+04, -7.457592560E+00] ) ) # note = "J12/68" ) species(name = "ALS", atoms = " Al:1 S:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.714551830E+00, 7.311807250E-03, -1.265289250E-05, 1.017961650E-08, -2.876133870E-12, 2.764349140E+04, 1.056695990E+01] ), NASA( [ 1000.00, 6000.00], [ 1.981711180E+00, 3.975264370E-03, -1.494288580E-06, 2.263658700E-10, -1.210363840E-14, 2.824057540E+04, 1.598822730E+01] ) ) # note = "J12/79" ) species(name = "AL2", atoms = " Al:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.809448100E+00, 1.593650200E-02, -2.725025800E-05, 1.987112000E-08, -5.368404600E-12, 5.753113400E+04, 1.407208080E+01] ), NASA( [ 1000.00, 5000.00], [ 5.815806200E+00, -1.325053700E-03, 6.075188600E-07, -1.069241900E-10, 7.061140900E-15, 5.678904700E+04, -4.954710630E+00] ) ) # note = "J 6/79" ) species(name = "AL2Br6", atoms = " Al:2 Br:6 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.418597900E+01, 3.445250600E-02, -6.252243700E-05, 5.217323800E-08, -1.648270900E-11, -1.180252500E+05, -2.292910600E+01] ), NASA( [ 1000.00, 5000.00], [ 2.127433100E+01, 8.393963500E-04, -3.759477800E-07, 7.417011000E-11, -5.372855100E-15, -1.192932500E+05, -5.610682000E+01] ) ) # note = "J 9/79" ) species(name = "AL2CL6", atoms = " Al:2 Cl:6 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.050919800E+01, 4.907743600E-02, -8.720872600E-05, 7.172343200E-08, -2.242432800E-11, -1.605178400E+05, -1.408406710E+01] ), NASA( [ 1000.00, 5000.00], [ 2.079400300E+01, 1.391424700E-03, -6.221367100E-07, 1.225937700E-10, -8.872758500E-15, -1.624047200E+05, -6.247318810E+01] ) ) # note = "J 9/79" ) species(name = "AL2F6", atoms = " Al:2 F:6 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.161811800E+00, 6.889889000E-02, -1.096586000E-04, 8.329334200E-08, -2.456104900E-11, -3.199424800E+05, 1.221256400E+01] ), NASA( [ 1000.00, 5000.00], [ 1.882984600E+01, 3.620223000E-03, -1.608555200E-06, 3.156625200E-10, -2.278028700E-14, -3.231511000E+05, -6.324007900E+01] ) ) # note = "J 9/79" ) species(name = "AL2I6", atoms = " Al:2 I:6 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.622549800E+01, 2.593843900E-02, -4.764235200E-05, 4.008368500E-08, -1.273718400E-11, -6.451949700E+04, -2.654041430E+01] ), NASA( [ 1000.00, 5000.00], [ 2.150319100E+01, 5.759419300E-04, -2.583902800E-07, 5.104597700E-11, -3.701773800E-15, -6.544913100E+04, -5.116606630E+01] ) ) # note = "J 9/79" ) species(name = "AL2O", atoms = " Al:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.073265600E+00, 1.130761300E-02, -1.656516200E-05, 1.178428400E-08, -3.300550300E-12, -1.905423000E+04, 4.408348310E+00] ), NASA( [ 1000.00, 5000.00], [ 6.772062700E+00, 8.255009200E-04, -3.629100100E-07, 6.953130000E-11, -4.734521100E-15, -1.964319700E+04, -8.772331290E+00] ) ) # note = "J12/79" ) species(name = "AL2O+", atoms = " Al:2 O:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.104573600E+00, 1.197835100E-02, -1.852258900E-05, 1.375669100E-08, -3.986742300E-12, 7.685270300E+04, 5.102572480E+00] ), NASA( [ 1000.00, 5000.00], [ 6.879785500E+00, 7.074987700E-04, -3.141924400E-07, 6.164098300E-11, -4.447869800E-15, 7.627075600E+04, -8.331814420E+00] ) ) # note = "J12/79" ) species(name = "AL2O2", atoms = " Al:2 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.759641100E+00, 2.999759900E-02, -5.219049700E-05, 4.228268600E-08, -1.307536000E-11, -4.922603200E+04, 1.110077200E+01] ), NASA( [ 1000.00, 5000.00], [ 9.159097600E+00, 9.685392700E-04, -4.325851300E-07, 8.517884000E-11, -6.161537000E-15, -5.042805900E+04, -1.915646800E+01] ) ) # note = "J12/79" ) species(name = "AL2O2+", atoms = " Al:2 O:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.342190400E+00, 2.811124900E-02, -4.954717800E-05, 4.050975200E-08, -1.261031000E-11, 6.636250600E+04, 9.290241670E+00] ), NASA( [ 1000.00, 5000.00], [ 9.275169300E+00, 8.358722300E-04, -3.736160800E-07, 7.360516800E-11, -5.326279400E-15, 6.526406800E+04, -1.867725860E+01] ) ) # note = "J12/79" ) species(name = "Ar", atoms = " Ar:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 4.379674910E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 4.379674910E+00] ) ) # note = "L 6/88" ) species(name = "Ar+", atoms = " Ar:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.593160970E+00, -1.328929440E-03, 5.265039440E-06, -5.979566910E-09, 2.189678620E-12, 1.828783680E+05, 5.449805750E+00] ), NASA( [ 1000.00, 6000.00], [ 2.869995470E+00, -1.425472420E-04, 9.366887760E-09, 2.925808590E-12, -3.582479410E-16, 1.827026170E+05, 3.532299800E+00] ) ) # note = "L10/92" ) species(name = "B", atoms = " B:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.510540990E+00, -6.238013280E-05, 1.421780990E-07, -1.416977960E-10, 5.150187490E-14, 6.660538940E+04, 4.163672090E+00] ), NASA( [ 1000.00, 6000.00], [ 2.498602730E+00, 1.402673220E-06, 1.094582780E-09, -1.200064140E-12, 2.431219940E-16, 6.660759140E+04, 4.218879790E+00] ) ) # note = "J 6/83" ) species(name = "B+", atoms = " B:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.636319600E+05, 2.419077080E+00] ), NASA( [ 1000.00, 6000.00], [ 2.512071180E+00, -2.600084910E-05, 1.904117550E-08, -5.718400710E-12, 6.068930370E-16, 1.636278510E+05, 2.353926990E+00] ) ) # note = "J 6/83" ) species(name = "B-", atoms = " B:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.501202710E+00, -5.734272080E-06, 1.096704350E-08, -9.503035330E-12, 3.089357740E-15, 6.264158060E+04, 4.610781380E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500075920E+00, -8.172942560E-08, 3.299657830E-11, -5.746496520E-15, 3.623660560E-19, 6.264176930E+04, 4.615985930E+00] ) ) # note = "J 6/83" ) species(name = "BCL", atoms = " B:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.836446300E+00, 4.436881200E-03, -4.388752200E-06, 1.516107800E-09, 3.264619500E-14, 1.600136100E+04, 8.345332090E+00] ), NASA( [ 1000.00, 5000.00], [ 4.102057100E+00, 4.865919300E-04, -1.886432600E-07, 3.583334200E-11, -2.509906900E-15, 1.568795800E+04, 1.955251190E+00] ) ) # note = "J12/64" ) species(name = "BCL+", atoms = " B:1 Cl:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.812419700E+00, 4.600639200E-03, -4.811996200E-06, 1.967221600E-09, -1.383780200E-13, 1.474484900E+05, 9.156682450E+00] ), NASA( [ 1000.00, 5000.00], [ 4.106088800E+00, 4.727417000E-04, -1.792858400E-07, 3.241613700E-11, -2.054575800E-15, 1.471309700E+05, 2.642729450E+00] ) ) # note = "J 6/68" ) species(name = "BCLF", atoms = " B:1 Cl:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.312023400E+00, 7.419876300E-03, -4.348594900E-06, -1.137405700E-09, 1.376389000E-12, -3.901754800E+04, 1.094835630E+01] ), NASA( [ 1000.00, 5000.00], [ 5.707675700E+00, 1.410020300E-03, -6.011413700E-07, 1.136704400E-10, -7.936806300E-15, -3.969332700E+04, -1.535038380E+00] ) ) # note = "J12/64" ) species(name = "BCL2", atoms = " B:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.297478600E+00, 1.208257600E-02, -1.612375500E-05, 9.626585600E-09, -2.059919900E-12, -1.095653700E+04, 1.104253330E+01] ), NASA( [ 1000.00, 5000.00], [ 6.445983800E+00, 5.792794800E-04, -2.604970500E-07, 6.359635800E-11, -5.398221500E-15, -1.166130400E+04, -4.460869770E+00] ) ) # note = "J 6/72" ) species(name = "BCL2+", atoms = " B:1 Cl:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.270493100E+00, 1.060379100E-02, -1.422983800E-05, 8.537283100E-09, -1.834967100E-12, 7.943601600E+04, 4.076450690E+00] ), NASA( [ 1000.00, 5000.00], [ 6.926662700E+00, 6.777763300E-04, -3.210149600E-07, 6.834442200E-11, -5.007359200E-15, 7.885782200E+04, -8.934626610E+00] ) ) # note = "J12/70" ) species(name = "BCL2-", atoms = " B:1 Cl:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.235879100E+00, 1.169021900E-02, -1.477825900E-05, 8.218154600E-09, -1.565791300E-12, -1.898181500E+04, 1.069001040E+01] ), NASA( [ 1000.00, 5000.00], [ 6.351821800E+00, 7.702884800E-04, -4.469986300E-07, 1.383117800E-10, -1.322199500E-14, -1.970543200E+04, -4.774720730E+00] ) ) # note = "J 6/72" ) species(name = "BCL3", atoms = " B:1 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.739526500E+00, 1.810581300E-02, -2.134046100E-05, 1.082833500E-08, -1.732596700E-12, -5.021460900E+04, 9.053127470E+00] ), NASA( [ 1000.00, 5000.00], [ 8.598538000E+00, 1.553192300E-03, -6.700060200E-07, 1.278911200E-10, -9.000005900E-15, -5.135707100E+04, -1.515842970E+01] ) ) # note = "J12/64" ) species(name = "BF", atoms = " B:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.461360900E+00, -9.568546800E-04, 6.013574400E-06, -6.497805700E-09, 2.235534900E-12, -1.496982000E+04, 4.460779630E+00] ), NASA( [ 1000.00, 5000.00], [ 3.577188800E+00, 1.019290800E-03, -4.125156400E-07, 7.719643800E-11, -5.349874100E-15, -1.512726400E+04, 3.266122430E+00] ) ) # note = "J12/64" ) species(name = "BF2", atoms = " B:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.030930300E+00, 7.241102100E-03, -2.825091900E-06, -2.892041300E-09, 2.004610200E-12, -7.215110200E+04, 1.044570350E+01] ), NASA( [ 1000.00, 5000.00], [ 5.444745700E+00, 1.753321100E-03, -7.844447400E-07, 1.571985900E-10, -1.131107100E-14, -7.286036700E+04, -2.273319200E+00] ) ) # note = "J 6/72" ) species(name = "BF2+", atoms = " B:1 F:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.314647400E+00, 8.644365400E-03, -6.752539600E-06, 1.338366500E-09, 4.511491000E-13, 3.748364900E+04, 5.904689780E+00] ), NASA( [ 1000.00, 5000.00], [ 5.812763800E+00, 1.819342400E-03, -7.710345700E-07, 1.448978200E-10, -9.980915600E-15, 3.679480100E+04, -7.004311920E+00] ) ) # note = "J12/70" ) species(name = "BF2-", atoms = " B:1 F:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.142458100E+00, 6.410457900E-03, -1.238646100E-06, -4.122010000E-09, 2.347236700E-12, -9.767296400E+04, 9.225232320E+00] ), NASA( [ 1000.00, 5000.00], [ 5.310034800E+00, 2.002043900E-03, -9.723551000E-07, 2.164144300E-10, -1.664088100E-14, -9.833692800E+04, -2.327760780E+00] ) ) # note = "J 6/72" ) species(name = "BF3", atoms = " B:1 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.446824400E+00, 1.527631200E-02, -1.078461700E-05, 6.890750200E-10, 1.489318700E-12, -1.379013500E+05, 1.256782110E+01] ), NASA( [ 1000.00, 5000.00], [ 7.024198500E+00, 3.222155900E-03, -1.370515400E-06, 2.591967100E-10, -1.812231000E-14, -1.391807200E+05, -1.118430090E+01] ) ) # note = "J 6/69" ) species(name = "BH", atoms = " B:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.686220600E+00, -1.305543500E-03, 2.674210500E-06, -9.107373800E-10, -1.559113600E-13, 5.217633000E+04, -5.524540120E-02] ), NASA( [ 1000.00, 5000.00], [ 2.891907900E+00, 1.583294600E-03, -5.826172900E-07, 1.024206800E-10, -6.766956900E-15, 5.232871400E+04, 3.796243290E+00] ) ) # note = "J12/64" ) species(name = "BHF2", atoms = " B:1 H:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.405360200E+00, 9.275584400E-03, 1.338646100E-06, -8.680789500E-09, 4.121101500E-12, -8.938840900E+04, 1.288804410E+01] ), NASA( [ 1000.00, 5000.00], [ 5.318452700E+00, 4.744446600E-03, -1.933785800E-06, 3.550838200E-10, -2.429366700E-14, -9.037501200E+04, -3.043140310E+00] ) ) # note = "J12/65" ) species(name = "BH2", atoms = " B:1 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.395828200E+00, 7.477626000E-03, -7.201951400E-06, 4.582639800E-09, -1.251068000E-12, 2.316265000E+04, 6.076470390E+00] ), NASA( [ 1000.00, 5000.00], [ 3.362528500E+00, 3.901285400E-03, -1.509755100E-06, 2.667280500E-10, -1.771305300E-14, 2.291902800E+04, 1.259282590E+00] ) ) # note = "J12/64" ) species(name = "BH3", atoms = " B:1 H:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.948703300E+00, -5.217054300E-04, 7.648116400E-06, -4.614869400E-09, 5.631861600E-13, 1.161880900E+04, -4.551745790E-02] ), NASA( [ 1000.00, 5000.00], [ 2.062172600E+00, 7.265589500E-03, -2.751033700E-06, 4.780370900E-10, -3.133428500E-14, 1.192375300E+04, 8.849450830E+00] ) ) # note = "J12/64" ) species(name = "BN", atoms = " B:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.537506500E+00, -1.355658600E-03, 6.221418900E-06, -6.168326900E-09, 1.987246100E-12, 5.632974300E+04, 5.563176750E+00] ), NASA( [ 1000.00, 5000.00], [ 3.598183200E+00, 8.717680500E-04, -2.997264400E-07, 5.603694400E-11, -4.075042100E-15, 5.617124100E+04, 4.600225250E+00] ) ) # note = "J 6/66" ) species(name = "BO", atoms = " B:1 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.729725000E+00, -2.087832400E-03, 5.736284900E-06, -4.389482800E-09, 1.091663200E-12, -1.061885900E+03, 3.625541040E+00] ), NASA( [ 1000.00, 5000.00], [ 3.156495600E+00, 1.381658900E-03, -5.504963000E-07, 9.911667800E-11, -6.416454600E-15, -1.030342200E+03, 6.037489540E+00] ) ) # note = "J 6/68" ) species(name = "BOCL", atoms = " B:1 O:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.270532100E+00, 1.022775000E-02, -1.207016300E-05, 7.202556200E-09, -1.691473800E-12, -3.937820800E+04, 7.349302250E+00] ), NASA( [ 1000.00, 5000.00], [ 5.713556600E+00, 1.866468900E-03, -7.748789800E-07, 1.439857200E-10, -9.931774500E-15, -3.997735300E+04, -4.880403550E+00] ) ) # note = "J12/65" ) species(name = "BOF", atoms = " B:1 O:1 F:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.237037380E+00, 1.334954960E-02, -1.815306140E-05, 1.360936760E-08, -4.243823970E-12, -7.352837350E+04, 1.100694110E+01] ), NASA( [ 1000.00, 6000.00], [ 5.392966030E+00, 2.074445000E-03, -7.936005860E-07, 1.334765710E-10, -8.217793310E-15, -7.431138520E+04, -4.765005350E+00] ) ) # note = "J12/65" ) species(name = "BOF2", atoms = " B:1 O:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.744597700E+00, 1.869327700E-02, -1.524616400E-05, 2.655947000E-09, 1.379860600E-12, -1.018675800E+05, 1.735313900E+01] ), NASA( [ 1000.00, 5000.00], [ 7.307723300E+00, 2.990362000E-03, -1.305961700E-06, 2.530824200E-10, -1.768733300E-14, -1.033457600E+05, -1.119241600E+01] ) ) # note = "J12/66" ) species(name = "BO2", atoms = " B:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.121204800E+00, 8.468088300E-03, -4.597227800E-06, -1.642002100E-09, 1.665823300E-12, -3.548330700E+04, 7.547891630E+00] ), NASA( [ 1000.00, 5000.00], [ 5.819843400E+00, 1.862657400E-03, -8.130279700E-07, 1.573582100E-10, -1.094423800E-14, -3.625511700E+04, -6.560907970E+00] ) ) # note = "J 6/68" ) species(name = "BO2-", atoms = " B:1 O:2 E:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.491633700E+00, 9.747064400E-03, -8.764086400E-06, 3.580254400E-09, -4.061122100E-13, -8.464121800E+04, 9.226895700E+00] ), NASA( [ 1000.00, 5000.00], [ 4.880516900E+00, 2.674365100E-03, -1.093219400E-06, 2.008087300E-10, -1.371776900E-14, -8.528432400E+04, -3.009276400E+00] ) ) # note = "J12/68" ) species(name = "BS", atoms = " B:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.174204600E+00, 9.854497200E-04, 2.771131900E-06, -4.375180100E-09, 1.761617900E-12, 2.823062400E+04, 7.533862400E+00] ), NASA( [ 1000.00, 5000.00], [ 3.706854200E+00, 9.868289500E-04, -4.749526600E-07, 1.065460100E-10, -8.051964300E-15, 2.801281600E+04, 4.424620900E+00] ) ) # note = "J 6/72" ) species(name = "B2", atoms = " B:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.790997440E+00, -5.875363590E-03, 3.005141620E-05, -3.914391730E-08, 1.604194280E-11, 9.872299980E+04, 3.434632030E+00] ), NASA( [ 1000.00, 6000.00], [ 5.238691550E+00, -5.236075070E-04, 1.697049780E-07, -2.065490420E-11, 9.414359250E-16, 9.798738280E+04, -6.007422170E+00] ) ) # note = "J 3/79" ) species(name = "B2O", atoms = " B:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.529473000E+00, 3.199382600E-03, 3.032925700E-06, -5.749125500E-09, 2.284734900E-12, 1.036320100E+04, 6.239631430E+00] ), NASA( [ 1000.00, 5000.00], [ 4.730053800E+00, 2.394148600E-03, -1.000832400E-06, 1.869751000E-10, -1.295367200E-14, 9.885335400E+03, -6.358512890E-01] ) ) # note = "J 6/66" ) species(name = "B2O2", atoms = " B:2 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.680707800E+00, 1.536113200E-02, -1.860609700E-05, 1.217145100E-08, -3.241101800E-12, -5.648664700E+04, 4.356127340E+00] ), NASA( [ 1000.00, 5000.00], [ 6.993857400E+00, 3.594039300E-03, -1.475361100E-06, 2.722512400E-10, -1.869599600E-14, -5.729617800E+04, -1.216777710E+01] ) ) # note = "J12/64" ) species(name = "B2O3", atoms = " B:2 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.660883700E+00, 2.026207600E-02, -2.194733800E-05, 1.225300400E-08, -2.703840200E-12, -1.023652400E+05, 8.106220680E+00] ), NASA( [ 1000.00, 5000.00], [ 8.399410600E+00, 4.743633800E-03, -1.955230400E-06, 3.618774900E-10, -2.490723200E-14, -1.035715800E+05, -1.581000090E+01] ) ) # note = "J 6/71" ) species(name = "B3O3CL3", atoms = " B:3 O:3 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.044498300E+00, 5.426059700E-02, -5.575076100E-05, 2.222312800E-08, -1.418129500E-12, -1.994163200E+05, 9.056722550E+00] ), NASA( [ 1000.00, 5000.00], [ 1.928256400E+01, 6.317258100E-03, -2.724292600E-06, 5.204791000E-10, -3.667779000E-14, -2.032088300E+05, -6.788515210E+01] ) ) # note = "J 3/65" ) species(name = "B3O3F3", atoms = " B:3 O:3 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.079886100E+00, 4.563659200E-02, -3.309882600E-05, 2.553883900E-09, 4.435876100E-12, -2.871221300E+05, 1.147539170E+01] ), NASA( [ 1000.00, 5000.00], [ 1.685861600E+01, 8.868575400E-03, -3.788105800E-06, 7.187040100E-10, -5.037691700E-14, -2.909310400E+05, -5.985875230E+01] ) ) # note = "J 3/65" ) species(name = "B3O3H3", atoms = " B:3 O:3 H:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.769890780E+00, 2.534259000E-02, 1.224867010E-05, -3.730576110E-08, 1.745568970E-11, -1.484310260E+05, 1.152180190E+01] ), NASA( [ 1000.00, 6000.00], [ 1.212012120E+01, 1.228112090E-02, -4.609224870E-06, 7.658245420E-10, -4.676237930E-14, -1.516486290E+05, -3.989180070E+01] ) ) # note = "J 3/65" ) species(name = "Ba", atoms = " Ba:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.503877700E+00, -3.780391400E-05, 1.291496600E-07, -1.840040900E-10, 9.293482900E-14, 2.079254400E+04, 6.216742220E+00] ), NASA( [ 1000.00, 5000.00], [ 7.973054500E+00, -1.116121500E-02, 7.117214700E-06, -1.533667300E-09, 1.087670000E-13, 1.888996600E+04, -2.348768480E+01] ) ) # note = "J12/70" ) species(name = "BaBr", atoms = " Ba:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.171455300E+00, 1.596081300E-03, -2.888654200E-06, 2.476714700E-09, -7.983070000E-13, -1.459449500E+04, 8.386206770E+00] ), NASA( [ 1000.00, 5000.00], [ 4.368977400E+00, 3.907588700E-04, -2.990174900E-07, 1.064130100E-10, -9.841604900E-15, -1.461768500E+04, 7.525260870E+00] ) ) # note = "J12/74" ) species(name = "BaBr2", atoms = " Ba:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.340527500E+00, 3.056195200E-03, -5.728586400E-06, 4.887596800E-09, -1.568808100E-12, -5.306231600E+04, 4.319437150E+00] ), NASA( [ 1000.00, 5000.00], [ 6.950233800E+00, 5.806602300E-05, -2.619542800E-08, 5.199282800E-12, -3.785277000E-16, -5.316684200E+04, 1.490027550E+00] ) ) # note = "J12/74" ) species(name = "BaCL", atoms = " Ba:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.978114800E+00, 2.180321800E-03, -3.434256500E-06, 2.518221200E-09, -6.905802700E-13, -1.836693700E+04, 7.924261040E+00] ), NASA( [ 1000.00, 5000.00], [ 4.667523800E+00, -2.218725100E-04, 8.127068000E-08, 3.021696200E-11, -5.318330100E-15, -1.854214200E+04, 4.464442040E+00] ) ) # note = "J12/72" ) species(name = "BaCL2", atoms = " Ba:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 6.057123800E+00, 3.842614900E-03, -6.268320500E-06, 4.619666500E-09, -1.274476800E-12, -6.191453600E+04, 3.761791660E+00] ), NASA( [ 1000.00, 5000.00], [ 6.913863700E+00, 9.821396300E-05, -4.326834800E-08, 8.396900600E-12, -5.989208500E-16, -6.207605100E+04, -3.058630750E-01] ) ) # note = "J12/72" ) species(name = "BaF", atoms = " Ba:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.353750600E+00, 4.381958000E-03, -6.640592900E-06, 4.614322900E-09, -1.197151800E-12, -3.989295600E+04, 9.457589260E+00] ), NASA( [ 1000.00, 5000.00], [ 4.358712500E+00, 3.011073800E-04, -2.286331500E-07, 8.986555400E-11, -8.765759500E-15, -4.010137600E+04, 4.601485460E+00] ) ) # note = "J12/72" ) species(name = "BaF+", atoms = " Ba:1 F:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.161746400E+00, 4.887607900E-03, -7.121988200E-06, 4.714497100E-09, -1.145898300E-12, 1.696046400E+04, 9.546232910E+00] ), NASA( [ 1000.00, 5000.00], [ 6.494556500E+00, -4.113005600E-03, 2.588280800E-06, -5.045869800E-10, 3.071956000E-14, 1.596065100E+04, -7.884984490E+00] ) ) # note = "J12/72" ) species(name = "BaF2", atoms = " Ba:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.096823900E+00, 7.422625000E-03, -1.168283300E-05, 8.329621800E-09, -2.221685600E-12, -9.843159500E+04, 5.436920860E+00] ), NASA( [ 1000.00, 5000.00], [ 6.797715900E+00, 2.293219600E-04, -1.005352100E-07, 1.942856600E-11, -1.380750700E-15, -9.876311400E+04, -2.695283240E+00] ) ) # note = "J12/72" ) species(name = "BaOH", atoms = " Ba:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.668183100E+00, 1.688397600E-02, -3.103177700E-05, 2.642104800E-08, -8.395358800E-12, -2.855466800E+04, 1.134340920E+01] ), NASA( [ 1000.00, 5000.00], [ 5.517846800E+00, 1.478090300E-03, -5.782330700E-07, 1.404022200E-10, -1.203576500E-14, -2.895907400E+04, -1.497872880E+00] ) ) # note = "J12/75" ) species(name = "BaOH+", atoms = " Ba:1 O:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.709049000E+00, 1.672652500E-02, -3.076792700E-05, 2.621044800E-08, -8.330383900E-12, 3.125507900E+04, 1.047079090E+01] ), NASA( [ 1000.00, 5000.00], [ 5.512601900E+00, 1.401384000E-03, -4.235021600E-07, 6.057836300E-11, -3.351965300E-15, 3.087134900E+04, -2.107673000E+00] ) ) # note = "J 6/76" ) species(name = "BaO2H2", atoms = " Ba:1 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.790935600E+00, 3.207544900E-02, -5.935080600E-05, 5.077638500E-08, -1.618113100E-11, -7.748355800E+04, 8.948693230E+00] ), NASA( [ 1000.00, 5000.00], [ 9.082473500E+00, 2.736831100E-03, -8.175367800E-07, 1.153488400E-10, -6.283375600E-15, -7.818658600E+04, -1.468867160E+01] ) ) # note = "J12/75" ) species(name = "BaS", atoms = " Ba:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.481617100E+00, 4.565813500E-03, -8.272641000E-06, 6.937259400E-09, -2.200024300E-12, 3.363648800E+03, 9.044225060E+00] ), NASA( [ 1000.00, 5000.00], [ 4.440258700E+00, 7.426939800E-04, -1.179568100E-06, 5.761863800E-10, -6.754632400E-14, 3.115982000E+03, 4.285984360E+00] ) ) # note = "J 9/77" ) species(name = "Be", atoms = " Be:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 3.822264600E+04, 2.146173160E+00] ), NASA( [ 1000.00, 6000.00], [ 2.294385660E+00, 4.116698410E-04, -2.647308320E-07, 6.256813880E-11, -3.892810070E-15, 3.829580550E+04, 3.267319420E+00] ) ) # note = "J 9/83" ) species(name = "Be+", atoms = " Be:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 1.458936930E+05, 2.839229270E+00] ), NASA( [ 1000.00, 6000.00], [ 2.501689760E+00, -5.103736470E-06, 5.274810900E-09, -2.161550490E-12, 3.007130260E-16, 1.458932770E+05, 2.830668470E+00] ) ) # note = "J 9/83" ) species(name = "BeBO2", atoms = " Be:1 B:1 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.006912000E+00, 1.804482400E-02, -1.691758100E-05, 6.086537300E-09, -1.727628500E-13, -5.923419700E+04, 1.580555710E+01] ), NASA( [ 1000.00, 5000.00], [ 6.910837600E+00, 3.266868400E-03, -1.367812000E-06, 2.557621100E-10, -1.772774100E-14, -6.050571500E+04, -9.161658050E+00] ) ) # note = "J 6/66" ) species(name = "BeBr", atoms = " Be:1 Br:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.659145700E+00, 6.702727800E-03, -1.040371100E-05, 7.765519400E-09, -2.253091800E-12, 1.343309600E+04, 1.073565200E+01] ), NASA( [ 1000.00, 5000.00], [ 4.194388700E+00, 3.993902300E-04, -1.483887300E-07, 2.676227200E-11, -1.562612700E-15, 1.311546400E+04, 3.322948450E+00] ) ) # note = "J 6/75" ) species(name = "BeBr2", atoms = " Be:1 Br:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.642228300E+00, 9.008445100E-03, -1.269855600E-05, 8.755898500E-09, -2.392319400E-12, -2.926543500E+04, 4.300119330E+00] ), NASA( [ 1000.00, 5000.00], [ 6.834487200E+00, 7.542928700E-04, -3.336820600E-07, 6.530234900E-11, -4.704109600E-15, -2.975711700E+04, -6.471791870E+00] ) ) # note = "J 6/75" ) species(name = "BeCL", atoms = " Be:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.832198700E+00, 4.456676400E-03, -4.448216100E-06, 1.585258700E-09, 4.520689400E-15, 6.290624800E+03, 8.891560510E+00] ), NASA( [ 1000.00, 5000.00], [ 4.105287800E+00, 4.746170100E-04, -1.799652800E-07, 3.256390300E-11, -2.065284000E-15, 5.975306000E+03, 2.464517410E+00] ) ) # note = "J 9/66" ) species(name = "BeCL+", atoms = " Be:1 Cl:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.896598400E+00, 5.126749200E-03, -6.442791100E-06, 3.563264000E-09, -6.592508800E-13, 1.167146600E+05, 7.837270450E+00] ), NASA( [ 1000.00, 5000.00], [ 5.382750000E+00, -1.847119800E-03, 1.112368300E-06, -1.695299400E-10, 6.100709100E-15, 1.159971700E+05, -5.062241350E+00] ) ) # note = "J 6/68" ) species(name = "BeCLF", atoms = " Be:1 Cl:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.102438100E+00, 8.501749000E-03, -8.909396300E-06, 4.007623200E-09, -5.162753900E-13, -7.046873600E+04, 4.099162810E+00] ), NASA( [ 1000.00, 5000.00], [ 6.440279100E+00, 1.146369300E-03, -4.854536000E-07, 9.128786500E-11, -6.344354900E-15, -7.105977100E+04, -7.728699690E+00] ) ) # note = "J 6/65" ) species(name = "BeCL2", atoms = " Be:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.492712500E+00, 8.053554500E-03, -8.831923900E-06, 4.089704900E-09, -5.349809200E-13, -4.495288100E+04, 2.695821410E+00] ), NASA( [ 1000.00, 5000.00], [ 6.704319100E+00, 8.716646800E-04, -3.725505300E-07, 7.056700600E-11, -4.933536000E-15, -4.549455800E+04, -8.422012290E+00] ) ) # note = "J 6/65" ) species(name = "BeF", atoms = " Be:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.276186200E+00, 2.523375900E-04, 4.093994400E-06, -5.312815000E-09, 1.995490000E-12, -2.144592400E+04, 5.864996510E+00] ), NASA( [ 1000.00, 5000.00], [ 3.709529500E+00, 8.938360000E-04, -3.611306800E-07, 6.760109200E-11, -4.642083300E-15, -2.166005200E+04, 3.164192410E+00] ) ) # note = "J12/71" ) species(name = "BeF2", atoms = " Be:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.523427400E+00, 9.389028400E-03, -9.563620800E-06, 4.292098900E-09, -5.775111300E-13, -9.713046100E+04, 4.883975390E+00] ), NASA( [ 1000.00, 5000.00], [ 6.045763100E+00, 1.562937400E-03, -6.610819700E-07, 1.244755100E-10, -8.671606300E-15, -9.777912700E+04, -7.917882610E+00] ) ) # note = "J 6/70" ) species(name = "BeH", atoms = " Be:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.731230500E+00, -1.914354800E-03, 4.891032500E-06, -3.292588300E-09, 6.663856200E-13, 3.756556000E+04, 3.886085230E-01] ), NASA( [ 1000.00, 5000.00], [ 3.057021800E+00, 1.497722300E-03, -5.687296300E-07, 1.026081700E-10, -6.916697900E-15, 3.763951300E+04, 3.400274780E+00] ) ) # note = "J 3/63" ) species(name = "BeH+", atoms = " Be:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.709571200E+00, -1.585203100E-03, 3.622876900E-06, -1.893322100E-09, 1.717326400E-13, 1.380286600E+05, -2.828964080E-01] ), NASA( [ 1000.00, 5000.00], [ 2.901599200E+00, 1.675176100E-03, -6.680550300E-07, 1.251095100E-10, -8.174146600E-15, 1.381681200E+05, 3.555629160E+00] ) ) # note = "J 9/66" ) species(name = "BeI", atoms = " Be:1 I:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.782612200E+00, 6.841034800E-03, -1.138989600E-05, 8.992412800E-09, -2.727768600E-12, 1.939618300E+04, 1.107893670E+01] ), NASA( [ 1000.00, 5000.00], [ 4.260049300E+00, 3.432081900E-04, -1.275947700E-07, 2.418970900E-11, -1.457014200E-15, 1.911035200E+04, 4.047667700E+00] ) ) # note = "J12/75" ) species(name = "BeI2", atoms = " Be:1 I:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.937378600E+00, 8.740473700E-03, -1.311472400E-05, 9.492849400E-09, -2.692633600E-12, -9.461600500E+03, 4.829511370E+00] ), NASA( [ 1000.00, 5000.00], [ 7.001126200E+00, 5.687887200E-04, -2.525375500E-07, 4.954105400E-11, -3.574720400E-15, -9.903885900E+03, -5.210255230E+00] ) ) # note = "J12/75" ) species(name = "BeN", atoms = " Be:1 N:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.168428600E+00, 1.028248300E-03, 2.737601700E-06, -4.348109900E-09, 1.753445300E-12, 5.031045100E+04, 6.662524960E+00] ), NASA( [ 1000.00, 5000.00], [ 3.785593700E+00, 8.238657500E-04, -3.271160200E-07, 6.155188800E-11, -4.280904100E-15, 5.006618000E+04, 3.105585260E+00] ) ) # note = "J 6/63" ) species(name = "BeO", atoms = " Be:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.789742480E+00, -3.248962260E-03, 1.129885330E-05, -1.180563150E-08, 4.206757610E-12, 1.534106960E+04, 2.739053060E+00] ), NASA( [ 1000.00, 6000.00], [ 5.667784730E+00, -4.078476140E-03, 3.411126080E-06, -8.210523710E-10, 6.137732790E-14, 1.458995800E+04, -8.085807000E+00] ) ) # note = "J12/74" ) species(name = "BeOH", atoms = " Be:1 O:1 H:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.913914800E+00, 1.350715900E-02, -1.853168700E-05, 1.294247100E-08, -3.543896100E-12, -1.481968300E+04, 1.099283050E+01] ), NASA( [ 1000.00, 5000.00], [ 4.611672000E+00, 2.397201300E-03, -8.548916200E-07, 1.430906200E-10, -9.111239900E-15, -1.536183800E+04, -1.988292070E+00] ) ) # note = "J12/75" ) species(name = "BeOH+", atoms = " Be:1 O:1 H:1 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.928098200E+00, 1.353424000E-02, -1.865402600E-05, 1.307392100E-08, -3.590057600E-12, 9.036830500E+04, 1.022572700E+01] ), NASA( [ 1000.00, 5000.00], [ 4.622352700E+00, 2.390257100E-03, -8.554947300E-07, 1.444167100E-10, -9.356029400E-15, 8.982943600E+04, -2.726146610E+00] ) ) # note = "J12/75" ) species(name = "BeO2H2", atoms = " Be:1 O:2 H:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.418439300E-01, 3.991356800E-02, -6.458828100E-05, 5.102347600E-08, -1.547920500E-11, -8.274104500E+04, 1.731362600E+01] ), NASA( [ 1000.00, 5000.00], [ 7.855047800E+00, 4.647758000E-03, -1.650283400E-06, 2.767062300E-10, -1.782629800E-14, -8.410625900E+04, -1.842946600E+01] ) ) # note = "J12/75" ) species(name = "BeS", atoms = " Be:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.902253800E+00, 3.189741300E-03, -1.365182500E-06, -1.509271000E-09, 1.227592900E-12, 3.071076000E+04, 7.875850640E+00] ), NASA( [ 1000.00, 5000.00], [ 5.204073400E+00, -3.874202200E-03, 4.257889100E-06, -1.256059900E-09, 1.134340300E-13, 3.022608400E+04, -3.578011960E+00] ) ) # note = "J 9/77" ) species(name = "Be2O", atoms = " Be:2 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.752789700E+00, 8.964869900E-03, -5.585924700E-06, -3.476918800E-10, 1.101547200E-12, -8.717470900E+03, 8.451918950E+00] ), NASA( [ 1000.00, 5000.00], [ 5.454973400E+00, 2.197038500E-03, -9.291957800E-07, 1.749641000E-10, -1.218998200E-14, -9.495898500E+03, -5.670422650E+00] ) ) # note = "J 9/63" ) species(name = "Be2OF2", atoms = " Be:2 O:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.860002600E+00, 1.943898200E-02, -1.881876000E-05, 7.100950300E-09, -3.722525800E-13, -1.470395900E+05, 3.241733410E+00] ), NASA( [ 1000.00, 5000.00], [ 1.031134300E+01, 2.925815100E-03, -1.248198700E-06, 2.365216900E-10, -1.655916000E-14, -1.484462300E+05, -2.448768300E+01] ) ) # note = "J 6/66" ) species(name = "Be2O2", atoms = " Be:2 O:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.710273900E+00, 1.824493900E-02, -1.437725300E-05, 2.126881600E-09, 1.469199300E-12, -5.051236600E+04, 1.521451020E+01] ), NASA( [ 1000.00, 5000.00], [ 7.178365200E+00, 3.079692600E-03, -1.316227300E-06, 2.497061400E-10, -1.749633900E-14, -5.198487600E+04, -1.292559480E+01] ) ) # note = "J 9/63" ) species(name = "Be3O3", atoms = " Be:3 O:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.000269200E+00, 2.000517200E-02, 5.751784700E-07, -1.709280500E-08, 8.486278500E-12, -1.282686700E+05, 1.562095300E+01] ), NASA( [ 1000.00, 5000.00], [ 9.190732200E+00, 7.362370100E-03, -3.129272900E-06, 5.916258900E-10, -4.136019400E-14, -1.306184900E+05, -2.331688000E+01] ) ) # note = "J 9/63" ) species(name = "Be4O4", atoms = " Be:4 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ -1.381843800E+00, 5.238482800E-02, -4.089301800E-05, 4.737970700E-09, 4.995416400E-12, -1.927835600E+05, 3.041306610E+01] ), NASA( [ 1000.00, 5000.00], [ 1.454703000E+01, 8.190373000E-03, -3.516278900E-06, 6.692345700E-10, -4.700596300E-14, -1.970484500E+05, -5.149676590E+01] ) ) # note = "J 9/63" ) species(name = "Br", atoms = " Br:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.485717110E+00, 1.506475250E-04, -5.372673330E-07, 7.209210650E-10, -2.502055580E-13, 1.270921680E+04, 6.860308040E+00] ), NASA( [ 1000.00, 6000.00], [ 2.088510530E+00, 7.121186110E-04, -2.700030730E-07, 4.149862990E-11, -2.311882940E-15, 1.285687670E+04, 9.073511440E+00] ) ) # note = "J 6/82" ) species(name = "Br2", atoms = " Br:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.343310040E+00, 6.352307690E-03, -1.364188150E-05, 1.317263000E-08, -4.683734760E-12, 2.535154080E+03, 9.079403530E+00] ), NASA( [ 1000.00, 6000.00], [ 5.187281870E+00, -1.386511040E-03, 9.347451530E-07, -2.070653910E-10, 1.418085170E-14, 2.107056780E+03, 7.762233940E-02] ) ) # note = "TPIS89" ) species(name = "C", atoms = " C:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10, 2.665214460E-13, 8.544388320E+04, 4.531308480E+00] ), NASA( [ 1000.00, 6000.00], [ 2.605582980E+00, -1.959343350E-04, 1.067372190E-07, -1.642393900E-11, 8.187057520E-16, 8.541294430E+04, 4.192386810E+00] ) ) # note = "L11/88" ) species(name = "C+", atoms = " C:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.615239660E+00, -5.537838730E-04, 1.063486360E-06, -9.237563450E-10, 3.007745680E-13, 2.168620530E+05, 3.826529440E+00] ), NASA( [ 1000.00, 6000.00], [ 2.508535190E+00, -1.085992700E-05, 5.370692100E-09, -1.182705960E-12, 9.712675640E-17, 2.168794930E+05, 4.317396550E+00] ) ) # note = "L 7/88" ) species(name = "C-", atoms = " C:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 6.993156540E+04, 3.963404030E+00] ), NASA( [ 1000.00, 6000.00], [ 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00, 6.993156540E+04, 3.963404030E+00] ) ) # note = "TPIS91" ) species(name = "CCL", atoms = " C:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.195355700E+00, 2.807631800E-03, -1.604384500E-06, -5.774406500E-10, 6.140973200E-13, 5.932507700E+04, 8.035173210E+00] ), NASA( [ 1000.00, 5000.00], [ 4.098472700E+00, 5.007784500E-04, -2.001283300E-07, 3.868099200E-11, -2.544111300E-15, 5.907659900E+04, 3.350173610E+00] ) ) # note = "J12/69" ) species(name = "CCLF3", atoms = " C:1 Cl:1 F:3 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.901193600E+00, 2.056365800E-02, -8.550863600E-06, -1.039564500E-08, 7.572182500E-12, -8.682956300E+04, 1.211506670E+01] ), NASA( [ 1000.00, 5000.00], [ 1.016509600E+01, 2.846004200E-03, -1.092602400E-06, 1.831437400E-10, -1.119405900E-14, -8.884875000E+04, -2.570411130E+01] ) ) # note = "L12/77" ) species(name = "CCL2", atoms = " C:1 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.858850500E+00, 1.395793800E-02, -2.003889800E-05, 1.350072600E-08, -3.166971500E-12, 2.736392600E+04, 1.224331310E+01] ), NASA( [ 1000.00, 5000.00], [ 3.718499900E+00, 5.344974500E-03, -2.343128400E-06, 4.180617700E-10, -2.676529500E-14, 2.755479300E+04, 9.645979540E+00] ) ) # note = "J12/68" ) species(name = "CCL2F2", atoms = " C:1 Cl:2 F:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.813496600E+00, 2.003683500E-02, -9.898669300E-06, -8.799535300E-09, 7.121855200E-12, -6.125355100E+04, 8.990971100E+00] ), NASA( [ 1000.00, 5000.00], [ 1.070824800E+01, 2.323218600E-03, -9.007322300E-07, 1.526170200E-10, -9.443495800E-15, -6.310260200E+04, -2.662287650E+01] ) ) # note = "L12/77" ) species(name = "CCL3", atoms = " C:1 Cl:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.715335700E+00, 1.944379600E-02, -2.462784100E-05, 1.378646400E-08, -2.663893400E-12, 7.782002000E+03, 9.716042590E+00] ), NASA( [ 1000.00, 5000.00], [ 8.781547300E+00, 1.351613000E-03, -5.824945300E-07, 1.109869700E-10, -7.793726400E-15, 6.634415100E+03, -1.531613240E+01] ) ) # note = "J 6/70" ) species(name = "CCL3F", atoms = " C:1 Cl:3 F:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.828768700E+00, 1.898174000E-02, -1.036066200E-05, -7.847212700E-09, 6.845275200E-12, -3.644618400E+04, 4.634137300E+00] ), NASA( [ 1000.00, 5000.00], [ 1.124653000E+01, 1.783769800E-03, -6.926044300E-07, 1.174072400E-10, -7.264029200E-15, -3.810830900E+04, -2.827598580E+01] ) ) # note = "L12/77" ) species(name = "CCL4", atoms = " C:1 Cl:4 ", thermo = ( NASA( [ 298.15, 1000.00], [ 5.796629900E+00, 1.797743900E-02, -1.095654600E-05, -6.668180700E-09, 6.455489800E-12, -1.394096500E+04, -5.569596350E-01] ), NASA( [ 1000.00, 5000.00], [ 1.173909600E+01, 1.283755300E-03, -4.965025900E-07, 8.352502000E-11, -5.110722400E-15, -1.541909000E+04, -3.077781870E+01] ) ) # note = "L12/81" ) species(name = "CF", atoms = " C:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.465514300E+00, -6.877980500E-04, 5.678476600E-06, -6.458298200E-09, 2.298824800E-12, 2.965559800E+04, 5.881354890E+00] ), NASA( [ 1000.00, 5000.00], [ 3.686967900E+00, 9.114349100E-04, -3.646385500E-07, 6.748285400E-11, -4.526959600E-15, 2.947812500E+04, 4.174510090E+00] ) ) # note = "J 6/70" ) species(name = "CF+", atoms = " C:1 F:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.582850950E+00, -1.863909300E-03, 8.534353410E-06, -9.323780620E-09, 3.339417130E-12, 1.371982480E+05, 4.074390000E+00] ), NASA( [ 1000.00, 6000.00], [ 3.675960840E+00, 8.528230730E-04, -3.067556610E-07, 4.974300570E-11, -2.839690380E-15, 1.370188780E+05, 2.846088130E+00] ) ) # note = "J12/70" ) species(name = "CF2", atoms = " C:1 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.768882100E+00, 7.237296200E-03, -1.602815200E-06, -4.551237900E-09, 2.664801100E-12, -2.301578600E+04, 1.113769580E+01] ), NASA( [ 1000.00, 5000.00], [ 5.226714200E+00, 2.083768000E-03, -9.903727800E-07, 2.126484800E-10, -1.583111400E-14, -2.375584700E+04, -1.910904230E+00] ) ) # note = "J 6/70" ) species(name = "CF2+", atoms = " C:1 F:2 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.978352200E+00, 6.033660200E-03, 6.585878500E-10, -5.212944900E-09, 2.666302100E-12, 1.121267500E+05, 1.095155630E+01] ), NASA( [ 1000.00, 5000.00], [ 5.155423000E+00, 2.052831000E-03, -9.117391100E-07, 1.827276100E-10, -1.321364000E-14, 1.114312200E+05, -7.787668410E-01] ) ) # note = "J12/70" ) species(name = "CF3", atoms = " C:1 F:3 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.065016800E+00, 1.642415800E-02, -1.083814600E-05, -8.531799700E-10, 2.387807000E-12, -5.781197600E+04, 1.570469300E+01] ), NASA( [ 1000.00, 5000.00], [ 7.201262200E+00, 3.066393500E-03, -1.314418100E-06, 2.499692500E-10, -1.755092800E-14, -5.923863100E+04, -1.094571000E+01] ) ) # note = "J 6/69" ) species(name = "CF3+", atoms = " C:1 F:3 E:-1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.260557600E+00, 1.542232300E-02, -9.895667400E-06, -7.834504600E-10, 2.121189200E-12, 4.936533800E+04, 1.357845510E+01] ), NASA( [ 1000.00, 5000.00], [ 7.022540600E+00, 3.244127100E-03, -1.386487500E-06, 2.632363700E-10, -1.846440200E-14, 4.802231800E+04, -1.120653390E+01] ) ) # note = "J12/71" ) species(name = "CF4", atoms = " C:1 F:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.051439920E+00, 2.782464680E-02, -2.465252600E-05, 6.745483040E-09, 9.189093160E-13, -1.135740670E+05, 1.819008990E+01] ), NASA( [ 1000.00, 6000.00], [ 9.472153590E+00, 3.595252160E-03, -1.403785020E-06, 2.391881880E-10, -1.485589060E-14, -1.158163370E+05, -2.497090910E+01] ) ) # note = "L 6/83" ) species(name = "CH", atoms = " C:1 H:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09, -1.406090670E-12, 7.079729340E+04, 2.084011080E+00] ), NASA( [ 1000.00, 6000.00], [ 2.520906270E+00, 1.765372350E-03, -4.614757050E-07, 5.928854720E-11, -3.347319620E-15, 7.113143630E+04, 7.405321630E+00] ) ) # note = "TPIS79" ) species(name = "CH+", atoms = " C:1 H:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.537965520E+00, -7.592601940E-05, -6.095667080E-07, 2.008195220E-09, -1.008068210E-12, 1.950572290E+05, 5.232378380E-01] ), NASA( [ 1000.00, 6000.00], [ 4.537266930E+00, -2.051654030E-03, 1.695871700E-06, -3.510977090E-10, 2.221291970E-14, 1.946610790E+05, -5.027822240E+00] ) ) # note = "TPIS91" ) species(name = "CHCL", atoms = " C:1 H:1 Cl:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.961361100E+00, 6.115191600E-03, -4.520318000E-06, 1.309338900E-09, 7.157808600E-14, 3.595998300E+04, 9.743495840E+00] ), NASA( [ 1000.00, 5000.00], [ 5.156603600E+00, 4.588832500E-04, 4.474902300E-07, -1.360678700E-10, 1.024244500E-14, 3.531057700E+04, -1.751161460E+00] ) ) # note = "TPIS79" ) species(name = "CHCLF2", atoms = " C:1 H:1 Cl:1 F:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.468112000E+00, 1.588394500E-02, -2.820901500E-06, -1.047813200E-08, 6.070489600E-12, -5.957087900E+04, 1.519342340E+01] ), NASA( [ 1000.00, 5000.00], [ 7.902982700E+00, 4.625190000E-03, -1.648986700E-06, 2.591042900E-10, -1.483621200E-14, -6.123426600E+04, -1.373429760E+01] ) ) # note = "L12/77" ) species(name = "CHCL2F", atoms = " C:1 H:1 Cl:2 F:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.110715900E+00, 1.629589100E-02, -4.733118700E-06, -9.479816000E-09, 6.132375000E-12, -3.586221100E+04, 1.296384990E+01] ), NASA( [ 1000.00, 5000.00], [ 8.508392300E+00, 4.034571300E-03, -1.426822600E-06, 2.224730300E-10, -1.263017300E-14, -3.742791000E+04, -1.541166210E+01] ) ) # note = "L12/77" ) species(name = "CHCL3", atoms = " C:1 H:1 Cl:3 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.681980100E+00, 1.661102100E-02, -6.618080100E-06, -8.129156000E-09, 5.943313500E-12, -1.414184400E+04, 9.983499580E+00] ), NASA( [ 1000.00, 5000.00], [ 8.993803000E+00, 3.565219200E-03, -1.253764800E-06, 1.947913100E-10, -1.103202100E-14, -1.560900000E+04, -1.763169980E+01] ) ) # note = "X 6/81" ) species(name = "CHF3", atoms = " C:1 H:1 F:3 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.785709400E+00, 1.596112900E-02, -1.557501500E-06, -1.136691100E-08, 6.127529000E-12, -8.459112500E+04, 1.645759080E+01] ), NASA( [ 1000.00, 5000.00], [ 7.387024900E+00, 5.126692400E-03, -1.837177500E-06, 2.900464300E-10, -1.669208900E-14, -8.636743800E+04, -1.361026120E+01] ) ) # note = "L 6/81" ) species(name = "CH2", atoms = " C:1 H:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.744848790E+00, 1.179608230E-03, 1.945022640E-06, -2.529325060E-09, 1.124476310E-12, 4.557995230E+04, 1.628501250E+00] ), NASA( [ 1000.00, 6000.00], [ 2.777231660E+00, 3.836634760E-03, -1.348532200E-06, 2.116412550E-10, -1.234456620E-14, 4.585903040E+04, 6.672864290E+00] ) ) # note = "L11/89" ) species(name = "CH2CLF", atoms = " C:1 H:2 Cl:1 F:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.097553300E+00, 1.255189600E-02, 2.714703600E-07, -9.131984100E-09, 4.471357300E-12, -3.297361700E+04, 1.616817230E+01] ), NASA( [ 1000.00, 5000.00], [ 5.957278300E+00, 6.087970000E-03, -2.081375900E-06, 3.134621500E-10, -1.708487800E-14, -3.428078100E+04, -4.879886260E+00] ) ) # note = "L12/77" ) species(name = "CH2CL2", atoms = " C:1 H:2 Cl:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.362612700E+00, 1.388553200E-02, -2.087216700E-06, -8.665615800E-09, 4.949431500E-12, -1.276123000E+04, 1.508490580E+01] ), NASA( [ 1000.00, 5000.00], [ 6.499128300E+00, 5.567234000E-03, -1.888744900E-06, 2.823339300E-10, -1.525686900E-14, -1.404881300E+04, -7.011561590E+00] ) ) # note = "L12/81" ) species(name = "CH2F2", atoms = " C:1 H:2 F:2 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.926407800E+00, 1.052909700E-02, 3.465991500E-06, -9.685599900E-09, 3.816532200E-12, -5.550539500E+04, 1.547693920E+01] ), NASA( [ 1000.00, 5000.00], [ 5.298311200E+00, 6.756801200E-03, -2.340155300E-06, 3.572238100E-10, -1.978998600E-14, -5.679921500E+04, -3.528511310E+00] ) ) # note = "L 6/81" ) species(name = "CH3", atoms = " C:1 H:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09, 2.543857340E-12, 1.644499880E+04, 1.604564330E+00] ), NASA( [ 1000.00, 6000.00], [ 2.968660330E+00, 5.807175460E-03, -1.977785340E-06, 3.072787520E-10, -1.788538970E-14, 1.653888690E+04, 4.779445030E+00] ) ) # note = "L11/89" ) species(name = "CH3CL", atoms = " C:1 H:3 Cl:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.067244500E+00, 9.209152300E-03, 3.042605400E-06, -8.034206200E-09, 3.212744300E-12, -1.089688300E+04, 1.358395170E+01] ), NASA( [ 1000.00, 5000.00], [ 4.295298600E+00, 7.284682200E-03, -2.416119100E-06, 3.520583800E-10, -1.840618500E-14, -1.179346500E+04, 8.592965290E-01] ) ) # note = "L12/81" ) species(name = "CH3F", atoms = " C:1 H:3 F:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 2.265102400E+00, 6.073385500E-03, 6.982541000E-06, -8.138091100E-09, 2.103634100E-12, -2.957766400E+04, 1.184395940E+01] ), NASA( [ 1000.00, 5000.00], [ 3.625652300E+00, 7.968369900E-03, -2.684531900E-06, 3.984110800E-10, -2.134863900E-14, -3.037248000E+04, 3.069903420E+00] ) ) # note = "L 6/81" ) species(name = "CH2OH", atoms = " C:1 H:3 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08, 4.369672780E-12, -2.505013670E+03, 5.473022430E+00] ), NASA( [ 1000.00, 6000.00], [ 4.676256390E+00, 6.564060140E-03, -2.265254710E-06, 3.556024810E-10, -2.086261900E-14, -2.892485740E+03, 4.877370050E-01] ) ) # note = "L12/92" ) species(name = "CH3O", atoms = " C:1 H:3 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.265248940E+00, 3.303001170E-03, 1.704939640E-05, -2.271044760E-08, 8.807565200E-12, 3.332814880E+02, 7.425680400E+00] ), NASA( [ 1000.00, 6000.00], [ 4.266765380E+00, 7.853801100E-03, -2.837399430E-06, 4.590396590E-10, -2.744260840E-14, -3.400732270E+02, 3.856374470E-01] ) ) # note = "L10/92" ) species(name = "CH4", atoms = " C:1 H:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08, 1.666939560E-11, -1.024664760E+04, -4.641303760E+00] ), NASA( [ 1000.00, 6000.00], [ 1.635526430E+00, 1.008427950E-02, -3.369162540E-06, 5.349586670E-10, -3.155188330E-14, -1.000564550E+04, 9.993133260E+00] ) ) # note = "L 8/88" ) species(name = "CH3OH", atoms = " C:1 H:4 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08, 2.613526980E-11, -2.564276560E+04, -1.504098230E+00] ), NASA( [ 1000.00, 6000.00], [ 3.601344860E+00, 1.024309540E-02, -3.599855170E-06, 5.725059860E-10, -3.391176400E-14, -2.599719100E+04, 4.705122530E+00] ) ) # note = "L 8/88" ) species(name = "CN", atoms = " C:1 N:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.612935020E+00, -9.555132750E-04, 2.144297650E-06, -3.151632700E-10, -4.643035460E-13, 5.190079580E+04, 3.980499470E+00] ), NASA( [ 1000.00, 6000.00], [ 3.748183330E+00, 3.917532710E-05, 2.997029960E-07, -6.927045320E-11, 4.461376910E-15, 5.172784190E+04, 2.774690440E+00] ) ) # note = "TPIS91" ) species(name = "CN+", atoms = " C:1 N:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 6.928085050E+00, -2.814921780E-02, 7.585113760E-05, -7.241743360E-08, 2.338915030E-11, 2.151955070E+05, -1.017305000E+01] ), NASA( [ 1000.00, 6000.00], [ 7.290067130E+00, -2.463311390E-03, 9.035993080E-07, -1.359705860E-10, 7.337098590E-15, 2.135790810E+05, -1.913403860E+01] ) ) # note = "TPIS91" ) species(name = "CN-", atoms = " C:1 N:1 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.819628460E+00, -2.482473160E-03, 6.045678380E-06, -4.527331940E-09, 1.156791670E-12, 6.802563360E+03, 2.389044030E+00] ), NASA( [ 1000.00, 6000.00], [ 3.090519280E+00, 1.331817590E-03, -4.849022660E-07, 7.968652280E-11, -4.827709160E-15, 6.881956650E+03, 5.631283430E+00] ) ) # note = "L10/92" ) species(name = "CNN", atoms = " C:1 N:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.782408490E+00, 1.255331100E-02, -2.130820260E-05, 1.909416370E-08, -6.592441870E-12, 7.495516510E+04, 9.106347360E+00] ), NASA( [ 1000.00, 6000.00], [ 4.866580840E+00, 2.384996120E-03, -8.525778320E-07, 1.384238530E-10, -8.184231160E-15, 7.455869200E+04, -6.775871460E-01] ) ) # note = "L12/89" ) species(name = "CO", atoms = " C:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10, -9.044244990E-13, -1.434408600E+04, 3.508409280E+00] ), NASA( [ 1000.00, 6000.00], [ 3.048485830E+00, 1.351728180E-03, -4.857940750E-07, 7.885364860E-11, -4.698074890E-15, -1.426611710E+04, 6.017097900E+00] ) ) # note = "TPIS79" ) species(name = "CO+", atoms = " C:1 O:1 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.770571070E+00, -2.017708200E-03, 4.610761940E-06, -2.991718660E-09, 6.060577600E-13, 1.490042670E+05, 3.381257240E+00] ), NASA( [ 1000.00, 6000.00], [ 2.930594070E+00, 1.560313910E-03, -6.162389690E-07, 1.099560190E-10, -6.661113070E-15, 1.491446920E+05, 7.338379280E+00] ) ) # note = "TPIS91" ) species(name = "COCL", atoms = " C:1 O:1 Cl:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 4.286379200E+00, 5.086898000E-03, -5.072941100E-06, 2.964798300E-09, -7.709345300E-13, -9.012521200E+03, 6.251186700E+00] ), NASA( [ 1000.00, 5000.00], [ 5.429123600E+00, 1.612153500E-03, -6.600628000E-07, 1.212711400E-10, -8.285860100E-15, -9.330500700E+03, 3.828740560E-01] ) ) # note = "J12/65" ) species(name = "COCLF", atoms = " C:1 O:1 Cl:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 1.706666100E+00, 2.272256500E-02, -3.011563900E-05, 2.048356600E-08, -5.657222800E-12, -5.261990200E+04, 1.798762570E+01] ), NASA( [ 1000.00, 5000.00], [ 7.088108100E+00, 3.181647900E-03, -1.376331600E-06, 2.654400500E-10, -1.892896900E-14, -5.388378100E+04, -8.684993550E+00] ) ) # note = "J 6/61" ) species(name = "COCL2", atoms = " C:1 O:1 Cl:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.707879100E+00, 2.893694640E-02, -4.932891160E-05, 4.169101390E-08, -1.370573910E-11, -2.783509320E+04, 1.762021140E+01] ), NASA( [ 1000.00, 6000.00], [ 7.860183780E+00, 2.132715000E-03, -8.220771580E-07, 1.389511330E-10, -8.584066530E-15, -2.910564230E+04, -1.190119070E+01] ) ) # note = "TPIS91" ) species(name = "COF", atoms = " C:1 O:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.201972700E+00, 5.583777000E-03, -1.490548100E-06, -2.312606900E-09, 1.361435300E-12, -2.181704300E+04, 1.006073920E+01] ), NASA( [ 1000.00, 5000.00], [ 4.890821400E+00, 2.217970300E-03, -9.255072500E-07, 1.727012000E-10, -1.195534300E-14, -2.235798400E+04, 9.927840610E-01] ) ) # note = "J12/65" ) species(name = "COF2", atoms = " C:1 O:1 F:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.129794890E+00, 1.410197230E-02, -5.943813590E-06, -5.305447900E-09, 3.973674690E-12, -7.817453390E+04, 1.511090920E+01] ), NASA( [ 1000.00, 6000.00], [ 6.816317300E+00, 3.164732820E-03, -1.217762690E-06, 2.055822610E-10, -1.268931250E-14, -7.954827160E+04, -9.528645740E+00] ) ) # note = "TPIS91" ) species(name = "COS", atoms = " C:1 O:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.462532100E+00, 1.194799200E-02, -1.379437000E-05, 8.070773600E-09, -1.832765300E-12, -1.780398700E+04, 1.080586880E+01] ), NASA( [ 1000.00, 5000.00], [ 5.239200000E+00, 2.410058400E-03, -9.606452200E-07, 1.777834700E-10, -1.223570400E-14, -1.848045500E+04, -3.077738890E+00] ) ) # note = "J 3/61" ) species(name = "CO2", atoms = " C:1 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09, -1.436995480E-13, -4.837196970E+04, 9.901052220E+00] ), NASA( [ 1000.00, 6000.00], [ 4.636594930E+00, 2.741319910E-03, -9.958285310E-07, 1.603730110E-10, -9.161034680E-15, -4.902493410E+04, -1.935348550E+00] ) ) # note = "L 7/88" ) species(name = "CO2+", atoms = " C:1 O:2 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.393056530E+00, 5.823004150E-03, 4.380120750E-08, -4.682362710E-09, 2.315528250E-12, 1.123561510E+05, 6.390385530E+00] ), NASA( [ 1000.00, 6000.00], [ 5.612925130E+00, 1.898299940E-03, -7.345963830E-07, 1.239756650E-10, -7.576922880E-15, 1.116211360E+05, -5.651356980E+00] ) ) # note = "L10/92" ) species(name = "COOH", atoms = " C:1 O:2 H:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.922079150E+00, 7.624538200E-03, 3.298846830E-06, -1.071352490E-08, 5.115873090E-12, -2.683835880E+04, 1.129259890E+01] ), NASA( [ 1000.00, 6000.00], [ 5.392062470E+00, 4.112213050E-03, -1.481948170E-06, 2.398752780E-10, -1.439029650E-14, -2.767087860E+04, -2.235286310E+00] ) ) # note = "TPIS91" ) species(name = "CP", atoms = " C:1 P:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.702914000E+00, -2.940263300E-03, 1.252637830E-05, -1.459482870E-08, 5.619553200E-12, 6.150293320E+04, 5.349714670E+00] ), NASA( [ 1000.00, 6000.00], [ 4.169860610E+00, -3.338931540E-04, 6.305100950E-07, -1.652489160E-10, 1.252485420E-14, 6.121210160E+04, 2.057622880E+00] ) ) # note = "L 9/93" ) species(name = "CS", atoms = " C:1 S:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.403934400E+00, -6.577330800E-04, 6.171215700E-06, -7.368960400E-09, 2.734673800E-12, 3.268939300E+04, 5.911067290E+00] ), NASA( [ 1000.00, 5000.00], [ 3.682601200E+00, 9.047320300E-04, -3.643637400E-07, 6.385429400E-11, -3.693398200E-15, 3.249749000E+04, 3.898416790E+00] ) ) # note = "J12/76" ) species(name = "CS2", atoms = " C:1 S:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.832601300E+00, 1.329079100E-02, -1.814469400E-05, 1.283168100E-08, -3.680060900E-12, 1.276678200E+04, 9.222194110E+00] ), NASA( [ 1000.00, 5000.00], [ 5.925261000E+00, 1.825299600E-03, -7.558538000E-07, 1.460507300E-10, -1.043859500E-14, 1.204807100E+04, -6.058932290E+00] ) ) # note = "J12/76" ) species(name = "C2", atoms = " C:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ -1.962586410E+00, 5.768153100E-02, -1.580377350E-04, 1.724606360E-07, -6.579052860E-11, 9.898833170E+04, 2.331984180E+01] ), NASA( [ 1000.00, 6000.00], [ 4.124873140E+00, 1.083466180E-04, 1.572508900E-07, -4.240421020E-11, 3.250557140E-15, 9.892280660E+04, 7.974210150E-01] ) ) # note = "TPIS91" ) species(name = "C2+", atoms = " C:2 E:-1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.744384660E+00, -2.750608040E-03, 9.416979860E-06, -9.544720490E-09, 3.487434580E-12, 2.400575730E+05, 3.701688640E+00] ), NASA( [ 1000.00, 6000.00], [ 1.474362350E+00, 3.908584150E-03, -1.153627120E-06, 1.285227900E-10, -4.371609390E-15, 2.408015850E+05, 1.565709560E+01] ) ) # note = "TPIS91" ) species(name = "C2-", atoms = " C:2 E:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 3.820382300E+00, -2.881624080E-03, 8.219230440E-06, -7.322548630E-09, 2.414059290E-12, 5.675239680E+04, 2.431812380E+00] ), NASA( [ 1000.00, 6000.00], [ 1.941477660E+00, 3.345543280E-03, -1.214013170E-06, 1.868363260E-10, -1.034476990E-14, 5.726966690E+04, 1.200325300E+01] ) ) # note = "TPIS91" ) species(name = "C2CL2", atoms = " C:2 Cl:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 5.022948200E+00, 1.408266700E-02, -1.809566900E-05, 1.161034800E-08, -2.881747800E-12, 2.322748200E+04, 6.099952060E-01] ), NASA( [ 1000.00, 5000.00], [ 8.172854700E+00, 2.365989200E-03, -9.655250500E-07, 1.773614800E-10, -1.213520300E-14, 2.251019000E+04, -1.490359050E+01] ) ) # note = "J12/68" ) species(name = "C2CL4", atoms = " C:2 Cl:4 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.143479200E+00, 3.742237200E-02, -5.436979300E-05, 3.911286300E-08, -1.117638400E-11, -3.949262900E+03, 8.344559340E+00] ), NASA( [ 1000.00, 5000.00], [ 1.293593700E+01, 3.430920000E-03, -1.506719400E-06, 2.934699300E-10, -2.107089600E-14, -5.893233700E+03, -3.468070290E+01] ) ) # note = "L10/87" ) species(name = "C2CL6", atoms = " C:2 Cl:6 ", thermo = ( NASA( [ 298.15, 1000.00], [ 4.638353100E+00, 6.336556100E-02, -1.008003000E-04, 7.663692200E-08, -2.264655000E-11, -2.015651300E+04, 6.474795590E+00] ), NASA( [ 1000.00, 5000.00], [ 1.903428600E+01, 3.395682100E-03, -1.511528900E-06, 2.970031500E-10, -2.145382700E-14, -2.310380300E+04, -6.285292840E+01] ) ) # note = "L10/87" ) species(name = "C2F2", atoms = " C:2 F:2 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.534583700E+00, 1.444584500E-02, -1.218969200E-05, 3.604298500E-09, 1.911895100E-13, 9.213356200E+02, 5.419465110E+00] ), NASA( [ 1000.00, 5000.00], [ 7.516458100E+00, 3.168646200E-03, -1.331138500E-06, 2.496004900E-10, -1.734207200E-14, -1.610765500E+02, -1.506806220E+01] ) ) # note = "J12/67" ) species(name = "C2F4", atoms = " C:2 F:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.616618300E+00, 2.648861800E-02, -2.243326600E-05, 6.228644500E-09, 6.214924400E-13, -8.127724200E+04, 8.523764070E+00] ), NASA( [ 1000.00, 5000.00], [ 1.108646800E+01, 5.278842900E-03, -2.235440000E-06, 4.216684600E-10, -2.943391400E-14, -8.329288400E+04, -2.986688100E+01] ) ) # note = "J 6/69" ) species(name = "C2H", atoms = " C:2 H:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08, -1.093315110E-11, 6.683939320E+04, 6.222964380E+00] ), NASA( [ 1000.00, 6000.00], [ 3.361183950E+00, 4.389897240E-03, -1.627722180E-06, 2.605566630E-10, -1.529393050E-14, 6.704922140E+04, 5.571275420E+00] ) ) # note = "L 1/91" ) species(name = "C2HCL", atoms = " C:2 H:1 Cl:1 ", thermo = ( NASA( [ 298.15, 1000.00], [ 1.804715800E+00, 2.583787100E-02, -4.314995400E-05, 3.588357900E-08, -1.144799200E-11, 2.423020700E+04, 1.273775460E+01] ), NASA( [ 1000.00, 5000.00], [ 6.321045700E+00, 3.845973700E-03, -1.486460600E-06, 2.656137900E-10, -1.795246600E-14, 2.344047800E+04, -8.284650860E+00] ) ) # note = "TPIS91" ) species(name = "C2HF", atoms = " C:2 H:1 F:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 2.690177000E+00, 1.768085300E-02, -2.274985500E-05, 1.492056800E-08, -3.738192500E-12, 1.368322300E+04, 8.146971870E+00] ), NASA( [ 1000.00, 5000.00], [ 6.094950100E+00, 3.943242800E-03, -1.471143800E-06, 2.529464100E-10, -1.644666300E-14, 1.297690700E+04, -8.315342930E+00] ) ) # note = "J12/67" ) species(name = "CHCO,ketyl", atoms = " C:2 H:1 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.765939710E+00, 1.417412020E-02, -2.326009860E-05, 2.157280890E-08, -7.585093080E-12, 1.808563240E+04, 1.054085910E+01] ), NASA( [ 1000.00, 6000.00], [ 4.260381100E+00, 4.827405000E-03, -1.666188440E-06, 2.614052040E-10, -1.532579630E-14, 1.788047600E+04, 3.978743200E+00] ) ) # note = "L 6/89" ) species(name = "C2H2,acetylene", atoms = " C:2 H:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08, -8.500729740E-12, 2.642898070E+04, 1.393970510E+01] ), NASA( [ 1000.00, 6000.00], [ 4.658785040E+00, 4.883965470E-03, -1.608287750E-06, 2.469742260E-10, -1.386056800E-14, 2.575940440E+04, -3.998347720E+00] ) ) # note = "L 1/91" ) species(name = "C2H2,vinylidene", atoms = " C:2 H:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.281549330E+00, 6.976427400E-03, -2.385282830E-06, -1.210770450E-09, 9.820385790E-13, 4.862179430E+04, 5.920391690E+00] ), NASA( [ 1000.00, 6000.00], [ 4.278071390E+00, 4.756228830E-03, -1.630075130E-06, 2.546229810E-10, -1.488603260E-14, 4.831667220E+04, 6.400226000E-01] ) ) # note = "L12/89" ) species(name = "CH2CO,ketene", atoms = " C:2 H:2 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09, -2.014576150E-12, -7.042918040E+03, 1.221564800E+01] ), NASA( [ 1000.00, 6000.00], [ 5.757933070E+00, 6.349114130E-03, -2.258148350E-06, 3.620267330E-10, -2.156512040E-14, -7.978783840E+03, -6.107721500E+00] ) ) # note = "L 5/90" ) species(name = "C2H3,vinyl", atoms = " C:2 H:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08, 1.471508730E-11, 3.485984680E+04, 8.510540250E+00] ), NASA( [ 1000.00, 6000.00], [ 4.351050550E+00, 7.493300910E-03, -2.643145860E-06, 4.212859060E-10, -2.498961190E-14, 3.415461810E+04, 5.716765290E-01] ) ) # note = "L 2/92" ) species(name = "CH3CN", atoms = " C:2 H:3 N:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.824842210E+00, 4.101003590E-03, 2.145456790E-05, -2.872345430E-08, 1.118041460E-11, 6.288385220E+03, 5.540242110E+00] ), NASA( [ 1000.00, 6000.00], [ 5.085769740E+00, 9.707970400E-03, -3.484849460E-06, 5.621067600E-10, -3.362346700E-14, 5.458530740E+03, -3.265539030E+00] ) ) # note = "L12/92" ) species(name = "CH3CO,acetyl", atoms = " C:2 H:3 O:1 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.125278500E+00, 9.778220200E-03, 4.521448300E-06, -9.009461600E-09, 3.193717900E-12, -4.108507800E+03, 1.124202120E+01] ), NASA( [ 1000.00, 5000.00], [ 5.612278900E+00, 8.449886000E-03, -2.854147200E-06, 4.238376300E-10, -2.268403700E-14, -5.187863300E+03, -3.261781930E+00] ) ) # note = "BUR 84" ) species(name = "C2H4", atoms = " C:2 H:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08, 2.698843730E-11, 5.089775930E+03, 4.097330960E+00] ), NASA( [ 1000.00, 6000.00], [ 3.991827610E+00, 1.048339100E-02, -3.717213850E-06, 5.946285140E-10, -3.536305260E-14, 4.268658190E+03, -2.690521510E-01] ) ) # note = "L 1/91" ) species(name = "C2H4O,ethylen", atoms = " C:2 H:4 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.759049310E+00, -9.441192920E-03, 8.030967700E-05, -1.008077560E-07, 4.003983570E-11, -7.560814020E+03, 7.849770300E+00] ), NASA( [ 1000.00, 6000.00], [ 5.488884290E+00, 1.204602310E-02, -4.333615450E-06, 7.002690000E-10, -4.194818700E-14, -9.180475760E+03, -7.080638680E+00] ) ) # note = "o L 8/88" ) species(name = "CH3CHO,ethanal", atoms = " C:2 H:4 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.729476270E+00, -3.193431610E-03, 4.753535050E-05, -5.745904740E-08, 2.193126190E-11, -2.157287990E+04, 4.102954550E+00] ), NASA( [ 1000.00, 6000.00], [ 5.404178990E+00, 1.172296750E-02, -4.226268300E-06, 6.837157330E-10, -4.098426760E-14, -2.259315080E+04, -3.481175930E+00] ) ) # note = "L 8/88" ) species(name = "CH3COOH", atoms = " C:2 H:4 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.789368440E+00, 1.000010160E-02, 3.425579780E-05, -5.090179190E-08, 2.062175040E-11, -5.347522920E+04, 1.410595040E+01] ), NASA( [ 1000.00, 6000.00], [ 7.670836780E+00, 1.351526950E-02, -5.258746880E-06, 8.931850620E-10, -5.531808910E-14, -5.575609710E+04, -1.546765900E+01] ) ) # note = "L 8/88" ) species(name = "(HCOOH)2", atoms = " C:2 H:4 O:4 ", thermo = ( NASA( [ 300.00, 1000.00], [ 3.769238500E+00, 2.722471600E-02, 1.723805300E-06, -2.077672400E-08, 9.937994900E-12, -1.010498800E+05, 1.050549660E+01] ), NASA( [ 1000.00, 5000.00], [ 1.220737100E+01, 1.368885100E-02, -4.684036900E-06, 7.051166300E-10, -3.836928500E-14, -1.039593800E+05, -3.570980540E+01] ) ) # note = "BUR 92" ) species(name = "C2H5", atoms = " C:2 H:5 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08, 2.305090040E-11, 1.284162650E+04, 4.707209240E+00] ), NASA( [ 1000.00, 6000.00], [ 4.288005350E+00, 1.243373740E-02, -4.413838290E-06, 7.065269430E-10, -4.203418560E-14, 1.205642000E+04, 8.452996230E-01] ) ) # note = "L12/92" ) species(name = "C2H6", atoms = " C:2 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08, 2.686857710E-11, -1.152220550E+04, 2.666823160E+00] ), NASA( [ 1000.00, 6000.00], [ 4.046666740E+00, 1.535387660E-02, -5.470393210E-06, 8.778262280E-10, -5.231673050E-14, -1.244735120E+04, -9.686836070E-01] ) ) # note = "L 8/88" ) species(name = "CH3N2CH3", atoms = " C:2 H:6 N:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 6.296136320E+00, -2.258154270E-03, 6.212328030E-05, -7.462929970E-08, 2.803719470E-11, 1.569288500E+04, -2.499259150E+00] ), NASA( [ 1000.00, 6000.00], [ 7.449548510E+00, 1.744061530E-02, -6.273824530E-06, 1.013511780E-09, -6.069374940E-14, 1.419799780E+04, -1.415676380E+01] ) ) # note = "L 8/88" ) species(name = "CH3OCH3", atoms = " C:2 H:6 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.305622790E+00, -2.142542720E-03, 5.308732440E-05, -6.231471360E-08, 2.307310360E-11, -2.398662950E+04, 7.132642090E-01] ), NASA( [ 1000.00, 6000.00], [ 5.648441830E+00, 1.633818990E-02, -5.868023670E-06, 9.468368690E-10, -5.665047380E-14, -2.510746900E+04, -5.962649390E+00] ) ) # note = "L12/92" ) species(name = "C2H5OH", atoms = " C:2 H:6 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.858681780E+00, -3.740067400E-03, 6.955502670E-05, -8.865411470E-08, 3.516844300E-11, -2.999613090E+04, 4.801922940E+00] ), NASA( [ 1000.00, 6000.00], [ 6.562897700E+00, 1.520342640E-02, -5.389222470E-06, 8.621502240E-10, -5.128246830E-14, -3.152579840E+04, -9.475576440E+00] ) ) # note = "L 8/88" ) species(name = "CCN", atoms = " C:2 N:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.676007240E+00, 7.888423480E-03, -9.553266390E-06, 7.313440880E-09, -2.480352020E-12, 9.541955350E+04, 5.816519500E+00] ), NASA( [ 1000.00, 6000.00], [ 5.535949400E+00, 1.933361810E-03, -7.430079930E-07, 1.256541670E-10, -7.704200350E-15, 9.490280650E+04, -3.703806370E+00] ) ) # note = "L12/92" ) species(name = "CNC", atoms = " C:2 N:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.989588710E+00, 5.219778320E-03, -5.810837060E-07, -3.394165200E-09, 1.762730840E-12, 8.096563570E+04, 3.887219260E+00] ), NASA( [ 1000.00, 6000.00], [ 5.932596960E+00, 1.579147540E-03, -6.123335320E-07, 1.038696100E-10, -6.431618970E-15, 8.033268330E+04, -6.602071570E+00] ) ) # note = "TPIS91" ) species(name = "C2N2", atoms = " C:2 N:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.329253250E+00, 2.615378470E-02, -4.900039940E-05, 4.619174780E-08, -1.643238550E-11, 3.566844240E+04, 9.863362270E+00] ), NASA( [ 1000.00, 6000.00], [ 6.705447690E+00, 3.642603390E-03, -1.309342500E-06, 2.164110610E-10, -1.311874100E-14, 3.486080050E+04, -1.048036950E+01] ) ) # note = "TPIS79" ) species(name = "C2O", atoms = " C:2 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.863454220E+00, 1.197329690E-02, -1.812325010E-05, 1.538136340E-08, -5.289065240E-12, 3.375009450E+04, 8.894058810E+00] ), NASA( [ 1000.00, 6000.00], [ 5.515764440E+00, 1.877457040E-03, -7.011597570E-07, 1.215052910E-10, -7.767788550E-15, 3.309704580E+04, -4.276361380E+00] ) ) # note = "L12/89" ) species(name = "C3", atoms = " C:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.432839630E+00, -4.467543830E-03, 1.493214820E-05, -1.479531380E-08, 5.014211120E-12, 9.949572220E+04, -1.587207150E+00] ), NASA( [ 1000.00, 6000.00], [ 4.803577680E+00, 2.145112330E-03, -1.072920740E-06, 2.607352590E-10, -2.016319600E-14, 9.939654160E+04, 3.893693080E-01] ) ) # note = "TPIS79" ) species(name = "C3H3,propargyl", atoms = " C:3 H:3 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.828407660E+00, 2.378390360E-02, -2.192281760E-05, 1.000674440E-08, -1.389846440E-12, 4.018630580E+04, 1.384479570E+01] ), NASA( [ 1000.00, 6000.00], [ 6.641758210E+00, 8.085874280E-03, -2.847878870E-06, 4.535259770E-10, -2.688798150E-14, 3.897936990E+04, -1.040042550E+01] ) ) # note = "BUR 92" ) species(name = "C3H4,allene", atoms = " C:3 H:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.613074870E+00, 1.212233710E-02, 1.854054000E-05, -3.452584750E-08, 1.533533890E-11, 2.154156420E+04, 1.025033190E+01] ), NASA( [ 1000.00, 6000.00], [ 6.316948690E+00, 1.113362620E-02, -3.962890180E-06, 6.356337750E-10, -3.787498850E-14, 2.011746170E+04, -1.097188620E+01] ) ) # note = "L12/92" ) species(name = "C3H4,propyne", atoms = " C:3 H:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.680407600E+00, 1.579944290E-02, 2.507757370E-06, -1.365845840E-08, 6.615766070E-12, 2.069163920E+04, 9.892510470E+00] ), NASA( [ 1000.00, 6000.00], [ 6.025310920E+00, 1.133644270E-02, -4.022290480E-06, 6.437513650E-10, -3.829900820E-14, 1.951017920E+04, -8.589125920E+00] ) ) # note = "L12/92" ) species(name = "C3H4,cyclo-", atoms = " C:3 H:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.246665530E+00, 5.762380840E-03, 4.420803050E-05, -6.629067860E-08, 2.818247300E-11, 3.212843890E+04, 1.334518370E+01] ), NASA( [ 1000.00, 6000.00], [ 6.280787300E+00, 1.123938190E-02, -4.019575260E-06, 6.469206480E-10, -3.864332480E-14, 3.034150860E+04, -1.114199450E+01] ) ) # note = "L 5/90" ) species(name = "C3H5,allyl", atoms = " C:3 H:5 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.787946930E+00, 9.484143350E-03, 2.423433680E-05, -3.656040100E-08, 1.485923560E-11, 1.862612180E+04, 7.828224990E+00] ), NASA( [ 1000.00, 6000.00], [ 6.547611320E+00, 1.331522460E-02, -4.783331000E-06, 7.719498140E-10, -4.619308080E-14, 1.727147070E+04, -9.274868410E+00] ) ) # note = "BUR 92" ) species(name = "C3H6,propylene", atoms = " C:3 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.834645240E+00, 3.290784050E-03, 5.052281840E-05, -6.662514180E-08, 2.637075850E-11, 7.538382950E+02, 7.534109950E+00] ), NASA( [ 1000.00, 6000.00], [ 6.038704990E+00, 1.629638950E-02, -5.821306240E-06, 9.359364830E-10, -5.586029030E-14, -7.765950920E+02, -8.438243220E+00] ) ) # note = "L 7/90" ) species(name = "C3H6,cyclo-", atoms = " C:3 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.832785550E+00, -5.210274620E-03, 9.295828370E-05, -1.227531460E-07, 4.991911540E-11, 5.195200570E+03, 1.083067000E+01] ), NASA( [ 1000.00, 6000.00], [ 6.216632930E+00, 1.653936140E-02, -5.900759610E-06, 9.480954730E-10, -5.656617370E-14, 2.959375550E+03, -1.360406070E+01] ) ) # note = "L 1/93" ) species(name = "C3H6O", atoms = " C:3 H:6 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.568510510E+00, 5.027172920E-03, 6.423156070E-05, -8.902295480E-08, 3.624237660E-11, -1.296792050E+04, 9.888382290E+00] ), NASA( [ 1000.00, 6000.00], [ 7.945557100E+00, 1.740616780E-02, -6.254364630E-06, 1.009754570E-09, -6.044889530E-14, -1.528676830E+04, -1.841841330E+01] ) ) # note = "L 6/90" ) species(name = "C3H7,n-propyl", atoms = " C:3 H:7 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.032399960E+00, 3.427283120E-03, 6.143444200E-05, -8.376463380E-08, 3.408577760E-11, 1.033938390E+04, 8.774280790E+00] ), NASA( [ 1000.00, 6000.00], [ 6.964684620E+00, 1.754519460E-02, -6.233700550E-06, 9.985297350E-10, -5.943947930E-14, 8.542443580E+03, -1.148314780E+01] ) ) # note = "L 6/90" ) species(name = "C3H7,i-propyl", atoms = " C:3 H:7 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.408728720E+00, -8.552218250E-03, 8.421784910E-05, -1.009426830E-07, 3.869144790E-11, 9.426009560E+03, 3.623225040E+00] ), NASA( [ 1000.00, 6000.00], [ 5.751258820E+00, 1.876057620E-02, -6.701919760E-06, 1.077518710E-09, -6.430908850E-14, 7.979772930E+03, -4.913593550E+00] ) ) # note = "L 9/85" ) species(name = "C3H8", atoms = " C:3 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.211026200E+00, 1.715998030E-03, 7.061834720E-05, -9.195941160E-08, 3.644213720E-11, -1.438121060E+04, 5.609304910E+00] ), NASA( [ 1000.00, 6000.00], [ 6.667893630E+00, 2.061202140E-02, -7.365530270E-06, 1.184407610E-09, -7.069532100E-14, -1.627485210E+04, -1.318595030E+01] ) ) # note = "L 6/90" ) species(name = "C3H8O,1propanol", atoms = " C:3 H:8 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.277994200E+00, 8.086605460E-04, 8.215481790E-05, -1.084881850E-07, 4.348868970E-11, -3.283487740E+04, 5.705268350E+00] ), NASA( [ 1000.00, 6000.00], [ 8.710109290E+00, 2.080514730E-02, -7.384808980E-06, 1.181889770E-09, -7.035977830E-14, -3.512440240E+04, -1.889654530E+01] ) ) # note = "L 9/88" ) species(name = "C3H8O,2propanol", atoms = " C:3 H:8 O:1 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.308030270E+00, 1.024980100E-02, 6.198578050E-05, -9.033110880E-08, 3.740653720E-11, -3.492488430E+04, 7.558262540E+00] ), NASA( [ 1000.00, 6000.00], [ 9.642711130E+00, 2.002244130E-02, -7.119483640E-06, 1.141363550E-09, -6.799216670E-14, -3.748400950E+04, -2.563460740E+01] ) ) # note = "L 9/88" ) species(name = "C3O2", atoms = " C:3 O:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.196682110E+00, 3.145531380E-02, -5.074586230E-05, 4.357943980E-08, -1.473517870E-11, -1.294609800E+04, 1.329852640E+01] ), NASA( [ 1000.00, 6000.00], [ 8.461759200E+00, 4.815528250E-03, -1.809307590E-06, 3.007870800E-10, -1.837221620E-14, -1.432716540E+04, -1.706056880E+01] ) ) # note = "L 7/88" ) species(name = "C4", atoms = " C:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.322734820E+00, 2.025964530E-02, -3.734660710E-05, 3.568782550E-08, -1.277273820E-11, 1.227236380E+05, 6.809948290E+00] ), NASA( [ 1000.00, 6000.00], [ 5.630914940E+00, 4.831163970E-03, -1.504056420E-06, 2.028723570E-10, -1.003456870E-14, 1.225008790E+05, -2.989547310E+00] ) ) # note = "L 7/88" ) species(name = "C4H2", atoms = " C:4 H:2 ", thermo = ( NASA( [ 200.00, 1000.00], [ -4.071323930E-01, 5.207751430E-02, -9.211383400E-05, 8.086574030E-08, -2.704220800E-11, 5.259573670E+04, 2.032402230E+01] ), NASA( [ 1000.00, 6000.00], [ 8.667048950E+00, 6.715051910E-03, -2.353550600E-06, 3.736353660E-10, -2.210540430E-14, 5.100169780E+04, -2.180020500E+01] ) ) # note = "L 2/93" ) species(name = "C4H4,1,3-cyclo-", atoms = " C:4 H:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.278953180E+00, 1.342033500E-02, 4.119920630E-05, -6.989567270E-08, 3.072521200E-11, 4.508640970E+04, 1.767877880E+01] ), NASA( [ 1000.00, 6000.00], [ 8.042077510E+00, 1.252021740E-02, -4.523370470E-06, 7.331204430E-10, -4.401108640E-14, 4.251084940E+04, -2.112844830E+01] ) ) # note = "L 5/90" ) species(name = "C4H6,butadiene", atoms = " C:4 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 1.685304240E+00, 1.961200120E-02, 4.465235710E-05, -8.315231140E-08, 3.806512260E-11, 1.160757090E+04, 1.675459670E+01] ), NASA( [ 1000.00, 6000.00], [ 1.600101390E+01, 3.918251150E-03, 1.143557330E-06, -2.079257480E-10, 7.577135510E-15, 6.517082210E+03, -6.282041450E+01] ) ) # note = "X10/92" ) species(name = "C4H6,2-butyne", atoms = " C:4 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.424816990E+00, 2.653800040E-03, 5.304432810E-05, -6.713920950E-08, 2.581900810E-11, 1.546412160E+04, 5.409674090E-01] ), NASA( [ 1000.00, 6000.00], [ 6.932320900E+00, 1.864258730E-02, -6.823591040E-06, 1.119104850E-09, -6.767831130E-14, 1.403095580E+04, -1.220842830E+01] ) ) # note = "X10/88" ) species(name = "C4H6,cyclo-", atoms = " C:4 H:6 ", thermo = ( NASA( [ 200.00, 1000.00], [ 2.916334330E+00, -3.205848100E-03, 1.002635710E-04, -1.342481670E-07, 5.466701000E-11, 1.747322360E+04, 1.248171830E+01] ), NASA( [ 1000.00, 6000.00], [ 7.848582530E+00, 1.808128920E-02, -6.531866440E-06, 1.058421230E-09, -6.352539390E-14, 1.461534610E+04, -2.089802570E+01] ) ) # note = "L 5/90" ) species(name = "C4H8,1-butene", atoms = " C:4 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.426740730E+00, 6.639462490E-03, 6.806528150E-05, -9.287535620E-08, 3.734739490E-11, -2.115327960E+03, 7.546948600E+00] ), NASA( [ 1000.00, 6000.00], [ 8.021479910E+00, 2.260107070E-02, -8.312840330E-06, 1.378030720E-09, -8.421754590E-14, -4.308521530E+03, -1.711706970E+01] ) ) # note = "X 4/88" ) species(name = "C4H8,cis2-buten", atoms = " C:4 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.444178170E+00, -5.204516940E-03, 9.629065770E-05, -1.200688140E-07, 4.681948250E-11, -2.917414720E+03, 3.460507330E+00] ), NASA( [ 1000.00, 6000.00], [ 7.083350250E+00, 2.349824300E-02, -8.644830790E-06, 1.431601070E-09, -8.737626420E-14, -4.923202660E+03, -1.287093170E+01] ) ) # note = "X 4/88" ) species(name = "C4H8,tr2-butene", atoms = " C:4 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.572789670E+00, 3.765410170E-03, 6.522267080E-05, -8.309095220E-08, 3.203113420E-11, -3.579033010E+03, 5.377967080E-01] ), NASA( [ 1000.00, 6000.00], [ 7.625146700E+00, 2.304510420E-02, -8.494248640E-06, 1.411525540E-09, -8.647517570E-14, -5.401028150E+03, -1.619870800E+01] ) ) # note = "X 4/88" ) species(name = "C4H8,isobutene", atoms = " C:4 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.680497270E+00, 1.694144450E-02, 3.519635550E-05, -5.431668560E-08, 2.202016360E-11, -4.120993080E+03, 8.114571490E+00] ), NASA( [ 1000.00, 6000.00], [ 7.835553300E+00, 2.274596790E-02, -8.365175490E-06, 1.390762500E-09, -8.533299690E-14, -6.163563220E+03, -1.765407190E+01] ) ) # note = "X 4/88" ) species(name = "C4H8,cyclo-", atoms = " C:4 H:8 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.811447200E+00, -9.680499980E-03, 1.279176940E-04, -1.630571250E-07, 6.483147900E-11, 1.871079300E+03, 8.609981960E+00] ), NASA( [ 1000.00, 6000.00], [ 7.763310540E+00, 2.306533500E-02, -8.259837580E-06, 1.334123890E-09, -7.993633020E-14, -1.176720080E+03, -2.191482110E+01] ) ) # note = "L 5/90" ) species(name = "(CH3COOH)2", atoms = " C:4 H:8 O:4 ", thermo = ( NASA( [ 200.00, 1000.00], [ 7.754817430E+00, 1.389188970E-02, 8.329556090E-05, -1.200218550E-07, 4.906796450E-11, -1.151856690E+05, -1.224468140E+00] ), NASA( [ 1000.00, 6000.00], [ 1.582452080E+01, 2.618351170E-02, -9.460983580E-06, 1.533376160E-09, -9.204765450E-14, -1.190391410E+05, -5.110976170E+01] ) ) # note = "L 6/90" ) species(name = "C4H9,n-butyl", atoms = " C:4 H:9 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.824305400E+00, 5.503090800E-03, 7.493003300E-05, -1.020859430E-07, 4.134847140E-11, 5.540780490E+03, 2.176095090E+00] ), NASA( [ 1000.00, 6000.00], [ 9.189756150E+00, 2.363222670E-02, -8.642709850E-06, 1.427705150E-09, -8.702037160E-14, 3.377029090E+03, -2.156005600E+01] ) ) # note = "X10/84" ) species(name = "C4H9,i-butyl", atoms = " C:4 H:9 ", thermo = ( NASA( [ 200.00, 1000.00], [ 3.548852350E+00, 1.787476380E-02, 5.007828250E-05, -7.944750710E-08, 3.358023540E-11, 4.740115880E+03, 1.118493820E+01] ), NASA( [ 1000.00, 6000.00], [ 9.430406070E+00, 2.342713490E-02, -8.535991820E-06, 1.397483550E-09, -8.440574560E-14, 2.142148620E+03, -2.422079940E+01] ) ) # note = "X10/84" ) species(name = "C4H9,s-butyl", atoms = " C:4 H:9 ", thermo = ( NASA( [ 200.00, 1000.00], [ 5.039306070E+00, 4.093871000E-04, 9.155741120E-05, -1.194117130E-07, 4.750439870E-11, 6.423272360E+03, 8.243604440E+00] ), NASA( [ 1000.00, 6000.00], [ 8.426119390E+00, 2.393792650E-02, -8.560357830E-06, 1.377351600E-09, -8.224960050E-14, 3.964842530E+03, -1.698768750E+01] ) ) # note = "L 1/93" ) species(name = "C4H9,t-butyl", atoms = " C:4 H:9 ", thermo = ( NASA( [ 200.00, 1000.00], [ 6.873271330E+00, -1.851463060E-02, 1.305601160E-04, -1.508327550E-07, 5.653582820E-11, 4.109589380E+03, 2.300166040E-01] ), NASA( [ 1000.00, 6000.00], [ 6.630746560E+00, 2.593537450E-02, -9.371631110E-06, 1.518458900E-09, -9.111908630E-14, 2.008613230E+03, -9.205814400E+00] ) ) # note = "L 1/93" ) species(name = "C4H10,isobutane", atoms = " C:4 H:10 ", thermo = ( NASA( [ 200.00, 1000.00], [ 4.454792760E+00, 8.260579850E-03, 8.298866640E-05, -1.146476420E-07, 4.645701010E-11, -1.845939310E+04, 4.927431750E+00] ), NASA( [ 1000.00, 6000.00], [ 9.769912450E+00, 2.549972100E-02, -9.141429320E-06, 1.473282710E-09, -8.808001880E-14, -2.140526470E+04, -3.003291010E+01] ) ) # note = "L 6/90" ) species(name = "C4H10,n-butane", atoms = " C:4 H:10 ", thermo = ( NASA( [ 200.00, 1000.00], [ 6.147468060E+00, 1.559473890E-04, 9.679135170E-05, -1.254839100E-07, 4.978165550E-11, -1.759944020E+04, -1.094098790E+00] ), NASA( [ 1000.00, 6000.00], [ 9.445358340E+00, 2.578580730E-02, -9.236191220E-06, 1.486327550E-09, -8.878971580E-14, -2.013821650E+04, -2.634700760E+01] ) ) # note = "L 6/90" ) species(name = "C4