Chemical Properties of L-Valine, N-(2,6-difluoro-3-methylbenzoyl)-, tetradecyl ester

L-Valine, N-(2,6-difluoro-3-methylbenzoyl)-, tetradecyl ester

InChI
InChI=1S/C27H43F2NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-33-27(32)25(20(2)3)30-26(31)23-22(28)18-17-21(4)24(23)29/h17-18,20,25H,5-16,19H2,1-4H3,(H,30,31)
InChI Key
IDHXZKHJQHUSEF-UHFFFAOYSA-N
Formula
C27H43F2NO3
SMILES
CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1c(F)ccc(C)c1F)C(C)C
Molecular Weight1
467.64
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° 68.74 kJ/mol Joback Calculated Property
logPoct/wat 7.272 Crippen Calculated Property
McVol 390.060 ml/mol McGowan Calculated Property
Inp [3200.00; 3200.00]   Show Hide
Inp 3200.00 NIST
Inp 3200.00 NIST
Tboil 668.34 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 [577.86; 1333.87] 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 A2.77130e+01
Coefficient B2.34028e+00
Coefficient C-1.24958e-03
Coefficient D2.15460e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 577.86 J/mol×K 273.00 Calculated Property
Cp,gas 708.80 J/mol×K 353.78 Calculated Property
Cp,gas 826.41 J/mol×K 434.56 Calculated Property
Cp,gas 931.38 J/mol×K 515.33 Calculated Property
Cp,gas 1024.38 J/mol×K 596.11 Calculated Property
Cp,gas 1106.11 J/mol×K 676.89 Calculated Property
Cp,gas 1177.25 J/mol×K 757.67 Calculated Property
Cp,gas 1238.46 J/mol×K 838.44 Calculated Property
Cp,gas 1290.44 J/mol×K 919.22 Calculated Property
Cp,gas 1333.87 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(2,6-difluoro-3-methylbenzoyl)-, undecyl ester. L-Valine, N-(2,6-difluoro-3-methylbenzoyl)-, pentadecyl ester. L-Valine, N-(2,6-difluoro-3-methylbenzoyl)-, dodecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, hexyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, octyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, undecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, heptyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, dodecyl ester. L-Valine, N-(2,6-difluorobenzoyl)-, isohexyl ester. L-Valine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, dodecyl ester.

Find more compounds similar to L-Valine, N-(2,6-difluoro-3-methylbenzoyl)-, tetradecyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.