Chemical Properties of L-Valine, N-(5-chlorovaleryl)-, isohexyl ester

L-Valine, N-(5-chlorovaleryl)-, isohexyl ester

InChI
InChI=1S/C16H30ClNO3/c1-12(2)8-7-11-21-16(20)15(13(3)4)18-14(19)9-5-6-10-17/h12-13,15H,5-11H2,1-4H3,(H,18,19)
InChI Key
CFLOADQQRCJLEQ-UHFFFAOYSA-N
Formula
C16H30ClNO3
SMILES
CC(C)CCCOC(=O)C(NC(=O)CCCCCl)C(C)C
Molecular Weight1
319.87
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
ΔfH°gas -879.66 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.89 kJ/mol Joback Calculated Property
ΔvapH° 92.55 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.516 Crippen Calculated Property
McVol 267.530 ml/mol McGowan Calculated Property
Inp [2188.00; 2188.00]   Show Hide
Inp 2188.00 NIST
Inp 2188.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [790.24; 872.69] J/mol×K [764.05; 951.77] Show Hide
Cp,gas 790.24 J/mol×K 764.05 Joback Calculated Property
Cp,gas 806.34 J/mol×K 795.34 Joback Calculated Property
Cp,gas 821.47 J/mol×K 826.62 Joback Calculated Property
Cp,gas 835.65 J/mol×K 857.91 Joback Calculated Property
Cp,gas 848.89 J/mol×K 889.20 Joback Calculated Property
Cp,gas 861.23 J/mol×K 920.49 Joback Calculated Property
Cp,gas 872.69 J/mol×K 951.77 Joback Calculated Property

Similar Compounds

L-Valine, N-(5-chlorovaleryl)-, pentyl ester. L-Valine, N-(5-chlorovaleryl)-, butyl ester. L-Valine, N-(5-chlorovaleryl)-, isobutyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, dodecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, pentadecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, butyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, isobutyl ester. l-Valine, N-(5-chlrovaleryl)-, methyl ester. D-Alanine, N-(5-chlorovaleryl)-, isohexyl ester. L-Valine, N-(3-phenylpropionyl)-, hexyl ester. l-Valine, N-(3-cyclopentylpropionyl)-, methyl ester. D-Alanine, N-(5-chlorovaleryl)-, hexyl ester. D-Alanine, N-(5-chlorovaleryl)-, heptyl ester. D-Alanine, N-(5-chlorovaleryl)-, pentyl ester. L-valine, n-capryloyl-, methyl ester.

Find more compounds similar to L-Valine, N-(5-chlorovaleryl)-, isohexyl 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.