Chemical Properties of L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, propyl ester

L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, propyl ester

InChI
InChI=1S/C17H19F6NO3/c1-4-7-27-15(26)13(9(2)3)24-14(25)11-8-10(16(18,19)20)5-6-12(11)17(21,22)23/h5-6,8-9,13H,4,7H2,1-3H3,(H,24,25)
InChI Key
DDZILZZWXNQQFP-UHFFFAOYSA-N
Formula
C17H19F6NO3
SMILES
CCCOC(=O)C(NC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F)C(C)C
Molecular Weight1
399.33
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° 40.72 kJ/mol Joback Calculated Property
logPoct/wat 4.432 Crippen Calculated Property
McVol 256.240 ml/mol McGowan Calculated Property
Inp [1800.00; 1800.00]   Show Hide
Inp 1800.00 NIST
Inp 1800.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [777.40; 842.64] J/mol×K [775.74; 963.10] Show Hide
Cp,gas 777.40 J/mol×K 775.74 Joback Calculated Property
Cp,gas 790.47 J/mol×K 806.97 Joback Calculated Property
Cp,gas 802.58 J/mol×K 838.19 Joback Calculated Property
Cp,gas 813.81 J/mol×K 869.42 Joback Calculated Property
Cp,gas 824.19 J/mol×K 900.64 Joback Calculated Property
Cp,gas 833.78 J/mol×K 931.87 Joback Calculated Property
Cp,gas 842.64 J/mol×K 963.10 Joback Calculated Property

Similar Compounds

L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, butyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, ethyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, pentyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, dodecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, hexadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, octadecyl ester. L-Valine, N-(2,5-ditrifluoromethylbenzoyl)-, isohexyl ester.

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