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

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

InChI
InChI=1S/C29H49NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-29(32)27(24(2)3)30-28(31)26-21-19-25(4)20-22-26/h19-22,24,27H,5-18,23H2,1-4H3,(H,30,31)
InChI Key
UPXKYTXNECIPDU-UHFFFAOYSA-N
Formula
C29H49NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C
Molecular Weight1
459.70
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Physical Properties

Property Value Unit Source
ΔfusH° 68.54 kJ/mol Joback Calculated Property
IE 8.61 eV Relay (1.0) Calculated Property
log10WS -7.82 Relay (1.0) Calculated Property
logPoct/wat 7.774 Crippen Calculated Property
McVol 414.700 ml/mol McGowan Calculated Property
Pc 776.34 kPa Joback Calculated Property
Inp [3439.00; 3439.00]   Show Hide
Inp 3439.00 NIST
Inp 3439.00 NIST
Tboil 694.74 K Relay (1.0) Calculated Property
Tfus 359.32 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 [1457.39; 1542.19] J/mol×K [1056.16; 1300.22] Show Hide
Cp,gas 1457.39 J/mol×K 1056.16 Joback Calculated Property
Cp,gas 1475.66 J/mol×K 1096.84 Joback Calculated Property
Cp,gas 1492.13 J/mol×K 1137.51 Joback Calculated Property
Cp,gas 1506.90 J/mol×K 1178.19 Joback Calculated Property
Cp,gas 1520.09 J/mol×K 1218.87 Joback Calculated Property
Cp,gas 1531.82 J/mol×K 1259.55 Joback Calculated Property
Cp,gas 1542.19 J/mol×K 1300.22 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)-, pentadecyl ester. L-Valine, N-(4-methylbenzoyl)-, dodecyl 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)-, hexadecyl ester.

Sources

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