Chemical Properties of L-Valine, N-(2,5-difluorobenzoyl)-, tetradecyl ester

L-Valine, N-(2,5-difluorobenzoyl)-, tetradecyl ester

InChI
InChI=1S/C26H41F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-32-26(31)24(20(2)3)29-25(30)22-19-21(27)16-17-23(22)28/h16-17,19-20,24H,4-15,18H2,1-3H3,(H,29,30)
InChI Key
NXOCDXFNJJZHIZ-UHFFFAOYSA-N
Formula
C26H41F2NO3
SMILES
CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cc(F)ccc1F)C(C)C
Molecular Weight1
453.61
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° 66.54 kJ/mol Joback Calculated Property
logPoct/wat 6.964 Crippen Calculated Property
McVol 375.970 ml/mol McGowan Calculated Property
Inp [3004.00; 3004.00]   Show Hide
Inp 3004.00 NIST
Inp 3004.00 NIST
Tboil 663.62 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 [554.10; 1285.32] 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 A1.43230e+01
Coefficient B2.30476e+00
Coefficient C-1.26222e-03
Coefficient D2.28460e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 554.10 J/mol×K 273.00 Calculated Property
Cp,gas 681.83 J/mol×K 353.78 Calculated Property
Cp,gas 796.26 J/mol×K 434.56 Calculated Property
Cp,gas 898.10 J/mol×K 515.33 Calculated Property
Cp,gas 988.08 J/mol×K 596.11 Calculated Property
Cp,gas 1066.92 J/mol×K 676.89 Calculated Property
Cp,gas 1135.34 J/mol×K 757.67 Calculated Property
Cp,gas 1194.07 J/mol×K 838.44 Calculated Property
Cp,gas 1243.82 J/mol×K 919.22 Calculated Property
Cp,gas 1285.32 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(2,5-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, pentyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, butyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, isohexyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, propyl ester. L-Valine, N-(3-fluorobenzoyl)-, heptadecyl ester. L-Valine, N-(3-fluorobenzoyl)-, hexadecyl ester. L-Valine, N-(3-fluorobenzoyl)-, undecyl ester. L-Valine, N-(3-fluorobenzoyl)-, tetradecyl ester. L-Valine, N-(3-fluorobenzoyl)-, octadecyl ester. L-Valine, N-(3-fluorobenzoyl)-, dodecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, undecyl ester.

Find more compounds similar to L-Valine, N-(2,5-difluorobenzoyl)-, 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.