Chemical Properties of L-Valine, N-(3-chloro-2-fluorobenzoyl)-, undecyl ester

L-Valine, N-(3-chloro-2-fluorobenzoyl)-, undecyl ester

InChI
InChI=1S/C23H35ClFNO3/c1-4-5-6-7-8-9-10-11-12-16-29-23(28)21(17(2)3)26-22(27)18-14-13-15-19(24)20(18)25/h13-15,17,21H,4-12,16H2,1-3H3,(H,26,27)
InChI Key
IWDFXPNAANJEFZ-UHFFFAOYSA-N
Formula
C23H35ClFNO3
SMILES
CCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(Cl)c1F)C(C)C
Molecular Weight1
427.98
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Physical Properties

Property Value Unit Source
ΔfusH° 59.89 kJ/mol Joback Calculated Property
log10WS -7.09 Relay (1.0) Calculated Property
logPoct/wat 6.308 Crippen Calculated Property
McVol 344.170 ml/mol McGowan Calculated Property
Pc 1033.90 kPa Joback Calculated Property
Inp [2922.00; 2922.00]   Show Hide
Inp 2922.00 NIST
Inp 2922.00 NIST
Tboil 651.32 K Relay (1.0) Calculated Property
Tfus 361.59 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [495.66; 1131.75] 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 A2.38500e+01
Coefficient B2.01476e+00
Coefficient C-1.10302e-03
Coefficient D1.96160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 495.66 J/mol×K 273.00 Calculated Property
Cp,gas 607.26 J/mol×K 353.78 Calculated Property
Cp,gas 707.18 J/mol×K 434.56 Calculated Property
Cp,gas 796.04 J/mol×K 515.33 Calculated Property
Cp,gas 874.47 J/mol×K 596.11 Calculated Property
Cp,gas 943.07 J/mol×K 676.89 Calculated Property
Cp,gas 1002.49 J/mol×K 757.67 Calculated Property
Cp,gas 1053.32 J/mol×K 838.44 Calculated Property
Cp,gas 1096.20 J/mol×K 919.22 Calculated Property
Cp,gas 1131.75 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(3-chloro-2-fluorobenzoyl)-, hexadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, pentadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, decyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, dodecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, undecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, hexadecyl ester.

Find more compounds similar to L-Valine, N-(3-chloro-2-fluorobenzoyl)-, undecyl ester.

Sources

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