Chemical Properties of L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, hexadecyl ester

L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, hexadecyl ester

InChI
InChI=1S/C29H46F3NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-37-29(35)26(21(2)3)33-28(34)22-20-23(30)25(32)27(36-4)24(22)31/h20-21,26H,5-19H2,1-4H3,(H,33,34)
InChI Key
VNDCNVDCQWOKMQ-UHFFFAOYSA-N
Formula
C29H46F3NO4
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cc(F)c(F)c(OC)c1F)C(C)C
Molecular Weight1
529.67
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Physical Properties

Property Value Unit Source
ΔfusH° 77.80 kJ/mol Joback Calculated Property
logPoct/wat 7.891 Crippen Calculated Property
McVol 425.880 ml/mol McGowan Calculated Property
Inp [3366.00; 3366.00]   Show Hide
Inp 3366.00 NIST
Inp 3366.00 NIST
Tboil 686.26 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [646.44; 1459.59] 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 A7.17850e+01
Coefficient B2.41938e+00
Coefficient C-1.19674e-03
Coefficient D1.65160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 646.44 J/mol×K 273.00 Calculated Property
Cp,gas 785.24 J/mol×K 353.78 Calculated Property
Cp,gas 910.70 J/mol×K 434.56 Calculated Property
Cp,gas 1023.36 J/mol×K 515.33 Calculated Property
Cp,gas 1123.73 J/mol×K 596.11 Calculated Property
Cp,gas 1212.34 J/mol×K 676.89 Calculated Property
Cp,gas 1289.71 J/mol×K 757.67 Calculated Property
Cp,gas 1356.35 J/mol×K 838.44 Calculated Property
Cp,gas 1412.81 J/mol×K 919.22 Calculated Property
Cp,gas 1459.58 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, tetradecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, pentadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, undecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, decyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, heptyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, octadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, heptadecyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, butyl ester. L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, isohexyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, pentyl ester.

Find more compounds similar to L-Valine, N-(3-methoxy-2,4,5-trifluorobenzoyl)-, hexadecyl ester.

Sources

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