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

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

InChI
InChI=1S/C27H42F3NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-35-27(33)24(19(2)3)31-26(32)20-18-21(28)23(30)25(34-4)22(20)29/h18-19,24H,5-17H2,1-4H3,(H,31,32)
InChI Key
NCHVDNYYIYCGHT-UHFFFAOYSA-N
Formula
C27H42F3NO4
SMILES
CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cc(F)c(F)c(OC)c1F)C(C)C
Molecular Weight1
501.63
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° 72.62 kJ/mol Joback Calculated Property
logPoct/wat 7.111 Crippen Calculated Property
McVol 397.700 ml/mol McGowan Calculated Property
Inp [3159.00; 3159.00]   Show Hide
Inp 3159.00 NIST
Inp 3159.00 NIST
Tboil 672.34 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 [604.02; 1356.40] 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 A7.36030e+01
Coefficient B2.22938e+00
Coefficient C-1.08794e-03
Coefficient D1.41360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 604.02 J/mol×K 273.00 Calculated Property
Cp,gas 732.40 J/mol×K 353.78 Calculated Property
Cp,gas 848.55 J/mol×K 434.56 Calculated Property
Cp,gas 952.90 J/mol×K 515.33 Calculated Property
Cp,gas 1045.91 J/mol×K 596.11 Calculated Property
Cp,gas 1128.02 J/mol×K 676.89 Calculated Property
Cp,gas 1199.67 J/mol×K 757.67 Calculated Property
Cp,gas 1261.32 J/mol×K 838.44 Calculated Property
Cp,gas 1313.42 J/mol×K 919.22 Calculated Property
Cp,gas 1356.40 J/mol×K 1000.00 Calculated Property

Similar Compounds

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)-, hexadecyl 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)-, 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.
These property values are available through the Cheméo API. A free account gives you an access key.