Chemical Properties of L-Valine, N-(2,4-difluorobenzoyl)-, hexadecyl ester

L-Valine, N-(2,4-difluorobenzoyl)-, hexadecyl ester

InChI
InChI=1S/C28H45F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-28(33)26(22(2)3)31-27(32)24-19-18-23(29)21-25(24)30/h18-19,21-22,26H,4-17,20H2,1-3H3,(H,31,32)
InChI Key
KPIQKHCPGBPOFM-UHFFFAOYSA-N
Formula
C28H45F2NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(F)cc1F)C(C)C
Molecular Weight1
481.66
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 71.72 kJ/mol Joback Calculated Property
logPoct/wat 7.744 Crippen Calculated Property
McVol 404.150 ml/mol McGowan Calculated Property
Inp [3190.00; 3190.00]   Show Hide
Inp 3190.00 NIST
Inp 3190.00 NIST
Tboil 677.21 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 [596.53; 1388.51] 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 A1.25050e+01
Coefficient B2.49476e+00
Coefficient C-1.37102e-03
Coefficient D2.52260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 596.53 J/mol×K 273.00 Calculated Property
Cp,gas 734.67 J/mol×K 353.78 Calculated Property
Cp,gas 858.42 J/mol×K 434.56 Calculated Property
Cp,gas 968.56 J/mol×K 515.33 Calculated Property
Cp,gas 1065.90 J/mol×K 596.11 Calculated Property
Cp,gas 1151.24 J/mol×K 676.89 Calculated Property
Cp,gas 1225.37 J/mol×K 757.67 Calculated Property
Cp,gas 1289.10 J/mol×K 838.44 Calculated Property
Cp,gas 1343.21 J/mol×K 919.22 Calculated Property
Cp,gas 1388.50 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(2,4-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, dodecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, undecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, hexyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, octyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, undecyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, dodecyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, nonyl ester. L-Valine, N-(3,4-difluorobenzoyl)-, pentadecyl ester.

Find more compounds similar to L-Valine, N-(2,4-difluorobenzoyl)-, hexadecyl ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.