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

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

InChI
InChI=1S/C25H39F2NO3/c1-5-6-7-8-9-10-11-12-13-14-17-31-25(30)23(18(2)3)28-24(29)21-20(26)16-15-19(4)22(21)27/h15-16,18,23H,5-14,17H2,1-4H3,(H,28,29)
InChI Key
PDAJPCGBRFBHTJ-UHFFFAOYSA-N
Formula
C25H39F2NO3
SMILES
CCCCCCCCCCCCOC(=O)C(NC(=O)c1c(F)ccc(C)c1F)C(C)C
Molecular Weight1
439.59
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° 63.56 kJ/mol Joback Calculated Property
logPoct/wat 6.492 Crippen Calculated Property
McVol 361.880 ml/mol McGowan Calculated Property
Inp [2987.00; 2987.00]   Show Hide
Inp 2987.00 NIST
Inp 2987.00 NIST
Tboil 654.43 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 [535.44; 1230.69] 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 A2.95310e+01
Coefficient B2.15028e+00
Coefficient C-1.14078e-03
Coefficient D1.91660e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 535.44 J/mol×K 273.00 Calculated Property
Cp,gas 655.96 J/mol×K 353.78 Calculated Property
Cp,gas 764.25 J/mol×K 434.56 Calculated Property
Cp,gas 860.92 J/mol×K 515.33 Calculated Property
Cp,gas 946.56 J/mol×K 596.11 Calculated Property
Cp,gas 1021.79 J/mol×K 676.89 Calculated Property
Cp,gas 1087.21 J/mol×K 757.67 Calculated Property
Cp,gas 1143.43 J/mol×K 838.44 Calculated Property
Cp,gas 1191.06 J/mol×K 919.22 Calculated Property
Cp,gas 1230.69 J/mol×K 1000.00 Calculated Property

Similar Compounds

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