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

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

InChI
InChI=1S/C28H45ClFNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-34-28(33)26(22(2)3)31-27(32)23-19-18-20-24(29)25(23)30/h18-20,22,26H,4-17,21H2,1-3H3,(H,31,32)
InChI Key
QQBWPQXGUITAQF-UHFFFAOYSA-N
Formula
C28H45ClFNO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(Cl)c1F)C(C)C
Molecular Weight1
498.11
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Physical Properties

Property Value Unit Source
ΔfusH° 72.84 kJ/mol Joback Calculated Property
log10WS -8.46 Relay (1.0) Calculated Property
logPoct/wat 8.258 Crippen Calculated Property
McVol 414.620 ml/mol McGowan Calculated Property
Pc 775.91 kPa Joback Calculated Property
Inp [3451.00; 3451.00]   Show Hide
Inp 3451.00 NIST
Inp 3451.00 NIST
Tboil 685.54 K Relay (1.0) Calculated Property
Tfus 367.38 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 [601.73; 1389.71] 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 A1.93050e+01
Coefficient B2.48976e+00
Coefficient C-1.37502e-03
Coefficient D2.55660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 601.73 J/mol×K 273.00 Calculated Property
Cp,gas 739.35 J/mol×K 353.78 Calculated Property
Cp,gas 862.57 J/mol×K 434.56 Calculated Property
Cp,gas 972.19 J/mol×K 515.33 Calculated Property
Cp,gas 1069.02 J/mol×K 596.11 Calculated Property
Cp,gas 1153.88 J/mol×K 676.89 Calculated Property
Cp,gas 1227.57 J/mol×K 757.67 Calculated Property
Cp,gas 1290.90 J/mol×K 838.44 Calculated Property
Cp,gas 1344.67 J/mol×K 919.22 Calculated Property
Cp,gas 1389.70 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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