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
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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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [735.39; 822.25] J/mol×K [730.66; 920.50] Show Hide
Cp,gas 735.39 J/mol×K 730.66 Joback Calculated Property
Cp,gas 752.19 J/mol×K 762.30 Joback Calculated Property
Cp,gas 768.02 J/mol×K 793.94 Joback Calculated Property
Cp,gas 782.91 J/mol×K 825.58 Joback Calculated Property
Cp,gas 796.89 J/mol×K 857.22 Joback Calculated Property
Cp,gas 809.99 J/mol×K 888.86 Joback Calculated Property
Cp,gas 822.25 J/mol×K 920.50 Joback 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

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