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

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

InChI
InChI=1S/C26H41ClFNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-32-26(31)24(20(2)3)29-25(30)21-17-16-18-22(27)23(21)28/h16-18,20,24H,4-15,19H2,1-3H3,(H,29,30)
InChI Key
IDZJJGOBIMTAEJ-UHFFFAOYSA-N
Formula
C26H41ClFNO3
SMILES
CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(Cl)c1F)C(C)C
Molecular Weight1
470.07
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Physical Properties

Property Value Unit Source
ΔfusH° 67.66 kJ/mol Joback Calculated Property
log10WS -7.91 Relay (1.0) Calculated Property
logPoct/wat 7.478 Crippen Calculated Property
McVol 386.440 ml/mol McGowan Calculated Property
Pc 866.07 kPa Joback Calculated Property
Inp [3242.00; 3242.00]   Show Hide
Inp 3242.00 NIST
Inp 3242.00 NIST
Tboil 671.90 K Relay (1.0) Calculated Property
Tfus 364.69 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 [559.30; 1286.52] 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 A2.11230e+01
Coefficient B2.29976e+00
Coefficient C-1.26622e-03
Coefficient D2.31860e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 559.30 J/mol×K 273.00 Calculated Property
Cp,gas 686.51 J/mol×K 353.78 Calculated Property
Cp,gas 800.41 J/mol×K 434.56 Calculated Property
Cp,gas 901.73 J/mol×K 515.33 Calculated Property
Cp,gas 991.20 J/mol×K 596.11 Calculated Property
Cp,gas 1069.56 J/mol×K 676.89 Calculated Property
Cp,gas 1137.54 J/mol×K 757.67 Calculated Property
Cp,gas 1195.87 J/mol×K 838.44 Calculated Property
Cp,gas 1245.29 J/mol×K 919.22 Calculated Property
Cp,gas 1286.52 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)-, undecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, pentadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, decyl 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)-, tetradecyl ester.

Sources

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