Chemical Properties of L-Valine, N-(4-methylbenzoyl)-, pentadecyl ester

L-Valine, N-(4-methylbenzoyl)-, pentadecyl ester

InChI
InChI=1S/C28H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22-32-28(31)26(23(2)3)29-27(30)25-20-18-24(4)19-21-25/h18-21,23,26H,5-17,22H2,1-4H3,(H,29,30)
InChI Key
KLUPCNQWDQTWPK-UHFFFAOYSA-N
Formula
C28H47NO3
SMILES
CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C
Molecular Weight1
445.68
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Physical Properties

Property Value Unit Source
ΔfusH° 64.37 kJ/mol Joback Calculated Property
IE 8.58 eV Relay (1.0) Calculated Property
log10WS -7.53 Relay (1.0) Calculated Property
logPoct/wat 7.384 Crippen Calculated Property
McVol 400.610 ml/mol McGowan Calculated Property
Pc 839.19 kPa Joback Calculated Property
Inp [3341.00; 3341.00]   Show Hide
Inp 3341.00 NIST
Inp 3341.00 NIST
Tboil 688.06 K Relay (1.0) Calculated Property
Tfus 368.28 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 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 [1402.49; 1487.90] J/mol×K [1051.15; 1291.69] Show Hide
Cp,gas 1402.49 J/mol×K 1051.15 Joback Calculated Property
Cp,gas 1420.58 J/mol×K 1091.24 Joback Calculated Property
Cp,gas 1437.00 J/mol×K 1131.33 Joback Calculated Property
Cp,gas 1451.84 J/mol×K 1171.42 Joback Calculated Property
Cp,gas 1465.20 J/mol×K 1211.51 Joback Calculated Property
Cp,gas 1477.19 J/mol×K 1251.60 Joback Calculated Property
Cp,gas 1487.90 J/mol×K 1291.69 Joback Calculated Property

Similar Compounds

L-Valine, N-(4-methylbenzoyl)-, undecyl ester. L-Valine, N-(4-methylbenzoyl)-, tetradecyl ester. L-Valine, N-(4-methylbenzoyl)-, hexyl ester. L-Valine, N-(4-methylbenzoyl)-, dodecyl ester. L-Valine, N-(4-methylbenzoyl)-, hexadecyl ester. L-Valine, N-(4-methylbenzoyl)-, heptadecyl ester. L-Valine, N-(4-methylbenzoyl)-, pentyl ester. L-Valine, N-(4-methylbenzoyl)-, butyl ester. L-Valine, N-(3-methylbenzoyl)-, undecyl ester. L-Valine, N-(3-methylbenzoyl)-, dodecyl ester. L-Valine, N-(4-methylbenzoyl)-, isohexyl ester. L-Valine, N-(4-methylbenzoyl)-, propyl ester. L-Valine, N-(4-ethylbenzoyl)-, pentadecyl ester. L-Valine, N-(4-ethylbenzoyl)-, decyl ester. L-Valine, N-(4-ethylbenzoyl)-, nonyl ester.

Find more compounds similar to L-Valine, N-(4-methylbenzoyl)-, pentadecyl ester.

Sources

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