Chemical Properties of D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, eicosyl ester

D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, eicosyl ester

InChI
InChI=1S/C31H49F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-39-30(38)25(2)36-29(37)26-22-21-23-27(28(26)32)31(33,34)35/h21-23,25H,3-20,24H2,1-2H3,(H,36,37)
InChI Key
YEDDXGBOBYUCLD-UHFFFAOYSA-N
Formula
C31H49F4NO3
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(C(F)(F)F)c1F
Molecular Weight1
559.72
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Physical Properties

Property Value Unit Source
ΔfusH° 81.76 kJ/mol Joback Calculated Property
log10WS -9.12 Relay (1.0) Calculated Property
logPoct/wat 9.548 Crippen Calculated Property
McVol 449.960 ml/mol McGowan Calculated Property
Pc 636.08 kPa Joback Calculated Property
Inp [3468.00; 3468.00]   Show Hide
Inp 3468.00 NIST
Inp 3468.00 NIST
Tfus 361.72 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [675.42; 1558.35] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-8.31000e-01
Coefficient B2.92324e+00
Coefficient C-1.73562e-03
Coefficient D3.71560e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 675.42 J/mol×K 273.00 Calculated Property
Cp,gas 832.57 J/mol×K 353.78 Calculated Property
Cp,gas 972.22 J/mol×K 434.56 Calculated Property
Cp,gas 1095.54 J/mol×K 515.33 Calculated Property
Cp,gas 1203.70 J/mol×K 596.11 Calculated Property
Cp,gas 1297.89 J/mol×K 676.89 Calculated Property
Cp,gas 1379.27 J/mol×K 757.67 Calculated Property
Cp,gas 1449.03 J/mol×K 838.44 Calculated Property
Cp,gas 1508.33 J/mol×K 919.22 Calculated Property
Cp,gas 1558.35 J/mol×K 1000.00 Calculated Property

Similar Compounds

D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexadecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, pentadecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, dodecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tetradecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tridecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptadecyl ester. D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonadecyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, tridecyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octadecyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptyl ester.

Find more compounds similar to D-Alanine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, eicosyl ester.

Sources

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