Chemical Properties of L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, pentadecyl ester

L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, pentadecyl ester

InChI
InChI=1S/C28H43F4NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-36-27(35)25(21(2)3)33-26(34)22-18-17-19-23(24(22)29)28(30,31)32/h17-19,21,25H,4-16,20H2,1-3H3,(H,33,34)
InChI Key
NHVQNFCCAZZWER-UHFFFAOYSA-N
Formula
C28H43F4NO3
SMILES
CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(C(F)(F)F)c1F)C(C)C
Molecular Weight1
517.64
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° 70.47 kJ/mol Joback Calculated Property
log10WS -8.28 Relay (1.0) Calculated Property
logPoct/wat 8.233 Crippen Calculated Property
McVol 407.690 ml/mol McGowan Calculated Property
Pc 742.86 kPa Joback Calculated Property
Inp [3054.00; 3054.00]   Show Hide
Inp 3054.00 NIST
Inp 3054.00 NIST
Tboil 683.16 K Relay (1.0) Calculated Property
Tfus 365.77 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [1419.56; 1505.67] J/mol×K [1032.11; 1276.65] Show Hide
Cp,gas 1419.56 J/mol×K 1032.11 Joback Calculated Property
Cp,gas 1437.58 J/mol×K 1072.87 Joback Calculated Property
Cp,gas 1453.95 J/mol×K 1113.62 Joback Calculated Property
Cp,gas 1468.81 J/mol×K 1154.38 Joback Calculated Property
Cp,gas 1482.29 J/mol×K 1195.14 Joback Calculated Property
Cp,gas 1494.53 J/mol×K 1235.89 Joback Calculated Property
Cp,gas 1505.67 J/mol×K 1276.65 Joback Calculated Property

Similar Compounds

L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tetradecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, undecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, nonyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, decyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, dodecyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, isohexyl ester. L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, propyl ester. L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, octyl ester. L-Valine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptadecyl ester.

Find more compounds similar to L-Valine, N-(2-fluoro-3-trifluoromethylbenzoyl)-, pentadecyl 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.