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

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

InChI
InChI=1S/C30H47F4NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-38-29(37)24(2)35-28(36)25-21-20-22-26(27(25)31)30(32,33)34/h20-22,24H,3-19,23H2,1-2H3,(H,35,36)
InChI Key
YZKGZXRFZPRAEQ-UHFFFAOYSA-N
Formula
C30H47F4NO3
SMILES
CCCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(C(F)(F)F)c1F
Molecular Weight1
545.69
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Physical Properties

Property Value Unit Source
ΔfusH° 79.17 kJ/mol Joback Calculated Property
log10WS -8.85 Relay (1.0) Calculated Property
logPoct/wat 9.158 Crippen Calculated Property
McVol 435.870 ml/mol McGowan Calculated Property
Pc 668.04 kPa Joback Calculated Property
Inp [3361.00; 3361.00]   Show Hide
Inp 3361.00 NIST
Inp 3361.00 NIST
Tfus 360.19 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 [654.21; 1506.76] 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 A7.80000e-02
Coefficient B2.82824e+00
Coefficient C-1.68122e-03
Coefficient D3.59660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 654.21 J/mol×K 273.00 Calculated Property
Cp,gas 806.15 J/mol×K 353.78 Calculated Property
Cp,gas 941.14 J/mol×K 434.56 Calculated Property
Cp,gas 1060.31 J/mol×K 515.33 Calculated Property
Cp,gas 1164.79 J/mol×K 596.11 Calculated Property
Cp,gas 1255.73 J/mol×K 676.89 Calculated Property
Cp,gas 1334.25 J/mol×K 757.67 Calculated Property
Cp,gas 1401.51 J/mol×K 838.44 Calculated Property
Cp,gas 1458.63 J/mol×K 919.22 Calculated Property
Cp,gas 1506.76 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)-, eicosyl 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-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)-, nonadecyl ester.

Sources

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