Chemical Properties of L-Valine, N-(2,6-difluorobenzoyl)-, octadecyl ester

L-Valine, N-(2,6-difluorobenzoyl)-, octadecyl ester

InChI
InChI=1S/C30H49F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-36-30(35)28(24(2)3)33-29(34)27-25(31)21-20-22-26(27)32/h20-22,24,28H,4-19,23H2,1-3H3,(H,33,34)
InChI Key
CBXOEBLTUSQXLV-UHFFFAOYSA-N
Formula
C30H49F2NO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1c(F)cccc1F)C(C)C
Molecular Weight1
509.71
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Physical Properties

Property Value Unit Source
ΔfusH° 76.90 kJ/mol Joback Calculated Property
log10WS -8.77 Relay (1.0) Calculated Property
logPoct/wat 8.524 Crippen Calculated Property
McVol 432.330 ml/mol McGowan Calculated Property
Pc 696.18 kPa Joback Calculated Property
Inp [3546.00; 3546.00]   Show Hide
Inp 3546.00 NIST
Inp 3546.00 NIST
Tboil 683.92 K Relay (1.0) Calculated Property
Tfus 374.37 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 [638.95; 1491.69] 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 A1.06870e+01
Coefficient B2.68476e+00
Coefficient C-1.47982e-03
Coefficient D2.76060e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 638.95 J/mol×K 273.00 Calculated Property
Cp,gas 787.51 J/mol×K 353.78 Calculated Property
Cp,gas 920.57 J/mol×K 434.56 Calculated Property
Cp,gas 1039.02 J/mol×K 515.33 Calculated Property
Cp,gas 1143.73 J/mol×K 596.11 Calculated Property
Cp,gas 1235.57 J/mol×K 676.89 Calculated Property
Cp,gas 1315.41 J/mol×K 757.67 Calculated Property
Cp,gas 1384.13 J/mol×K 838.44 Calculated Property
Cp,gas 1442.60 J/mol×K 919.22 Calculated Property
Cp,gas 1491.69 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(2,6-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, octyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, hexyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, heptyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, dodecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, undecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, isohexyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, dodecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, undecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, pentadecyl ester.

Find more compounds similar to L-Valine, N-(2,6-difluorobenzoyl)-, octadecyl ester.

Sources

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