Chemical Properties of L-Valine, N-(3-chloro-2-fluorobenzoyl)-, pentadecyl ester

L-Valine, N-(3-chloro-2-fluorobenzoyl)-, pentadecyl ester

InChI
InChI=1S/C27H43ClFNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33-27(32)25(21(2)3)30-26(31)22-18-17-19-23(28)24(22)29/h17-19,21,25H,4-16,20H2,1-3H3,(H,30,31)
InChI Key
RZMXPUJOBAPPJQ-UHFFFAOYSA-N
Formula
C27H43ClFNO3
SMILES
CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1cccc(Cl)c1F)C(C)C
Molecular Weight1
484.09
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° 70.25 kJ/mol Joback Calculated Property
log10WS -8.18 Relay (1.0) Calculated Property
logPoct/wat 7.868 Crippen Calculated Property
McVol 400.530 ml/mol McGowan Calculated Property
Pc 819.13 kPa Joback Calculated Property
Inp [3350.00; 3350.00]   Show Hide
Inp 3350.00 NIST
Inp 3350.00 NIST
Tboil 678.73 K Relay (1.0) Calculated Property
Tfus 366.00 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 [1361.80; 1435.92] J/mol×K [1052.08; 1294.11] Show Hide
Cp,gas 1361.80 J/mol×K 1052.08 Joback Calculated Property
Cp,gas 1378.08 J/mol×K 1092.42 Joback Calculated Property
Cp,gas 1392.66 J/mol×K 1132.76 Joback Calculated Property
Cp,gas 1405.64 J/mol×K 1173.10 Joback Calculated Property
Cp,gas 1417.11 J/mol×K 1213.43 Joback Calculated Property
Cp,gas 1427.17 J/mol×K 1253.77 Joback Calculated Property
Cp,gas 1435.92 J/mol×K 1294.11 Joback Calculated Property

Similar Compounds

L-Valine, N-(3-chloro-2-fluorobenzoyl)-, hexadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, decyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, undecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, octadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, dodecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, undecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,4-difluorobenzoyl)-, hexadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, pentadecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, tetradecyl ester. L-Valine, N-(2,5-difluorobenzoyl)-, heptadecyl ester.

Find more compounds similar to L-Valine, N-(3-chloro-2-fluorobenzoyl)-, 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.