Chemical Properties of L-Valine, N-(3-methylbut-2-enoyl)-, isohexyl ester

L-Valine, N-(3-methylbut-2-enoyl)-, isohexyl ester

InChI
InChI=1S/C16H29NO3/c1-11(2)8-7-9-20-16(19)15(13(5)6)17-14(18)10-12(3)4/h10-11,13,15H,7-9H2,1-6H3,(H,17,18)
InChI Key
UJOFCLKIHCMJGP-UHFFFAOYSA-N
Formula
C16H29NO3
SMILES
CC(C)=CC(=O)NC(C(=O)OCCCC(C)C)C(C)C
Molecular Weight1
283.41
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° 36.59 kJ/mol Joback Calculated Property
logPoct/wat 3.073 Crippen Calculated Property
McVol 250.990 ml/mol McGowan Calculated Property
Inp [1934.00; 1934.00]   Show Hide
Inp 1934.00 NIST
Inp 1934.00 NIST
Tboil 560.54 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 [363.55; 849.56] 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 A9.83000e-01
Coefficient B1.55492e+00
Coefficient C-8.77600e-04
Coefficient D1.71260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 363.55 J/mol×K 273.00 Calculated Property
Cp,gas 448.82 J/mol×K 353.78 Calculated Property
Cp,gas 525.01 J/mol×K 434.56 Calculated Property
Cp,gas 592.66 J/mol×K 515.33 Calculated Property
Cp,gas 652.31 J/mol×K 596.11 Calculated Property
Cp,gas 704.51 J/mol×K 676.89 Calculated Property
Cp,gas 749.79 J/mol×K 757.67 Calculated Property
Cp,gas 788.70 J/mol×K 838.44 Calculated Property
Cp,gas 821.77 J/mol×K 919.22 Calculated Property
Cp,gas 849.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

L-Valine, N-(3-methylbut-2-enoyl)-, hexyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, heptyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, undecyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, dodecyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, propyl ester. L-Valine, N-(3-methylbut-2-enoyl)-, isobutyl ester. L-Valine, N-(5-chlorovaleryl)-, isohexyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, pentadecyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, dodecyl ester. L-Valine, N-(5-chlorovaleryl)-, pentyl ester. L-Valine, N-(3-cyclopentylpropionyl)-, butyl ester. L-Valine, N-(5-chlorovaleryl)-, butyl ester. L-Isoleucine, N-(trifluoroacetyl)-, butyl ester. L-Valine, N-pentafluorobenzoyl-, isohexyl ester. l-Valine, n-heptafluorobutyryl-, isohexyl ester.

Find more compounds similar to L-Valine, N-(3-methylbut-2-enoyl)-, 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.