Chemical Properties of D-Alanine, N-(4-ethylbenzoyl)-, hexadecyl ester

D-Alanine, N-(4-ethylbenzoyl)-, hexadecyl ester

InChI
InChI=1S/C28H47NO3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-23-32-28(31)24(3)29-27(30)26-21-19-25(5-2)20-22-26/h19-22,24H,4-18,23H2,1-3H3,(H,29,30)
InChI Key
MHTYRACCJITXEY-UHFFFAOYSA-N
Formula
C28H47NO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(CC)cc1
Molecular Weight1
445.69
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Physical Properties

Property Value Unit Source
ΔfusH° 69.47 kJ/mol Joback Calculated Property
log10WS -7.51 Relay (1.0) Calculated Property
logPoct/wat 7.392 Crippen Calculated Property
McVol 400.610 ml/mol McGowan Calculated Property
Pc 815.86 kPa Joback Calculated Property
Inp 3435.00 NIST
Tboil 685.45 K Relay (1.0) Calculated Property
Tfus 333.81 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, Ionization energy 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 [1393.73; 1478.67] J/mol×K [1033.72; 1270.37] Show Hide
Cp,gas 1393.73 J/mol×K 1033.72 Joback Calculated Property
Cp,gas 1411.79 J/mol×K 1073.16 Joback Calculated Property
Cp,gas 1428.16 J/mol×K 1112.60 Joback Calculated Property
Cp,gas 1442.94 J/mol×K 1152.05 Joback Calculated Property
Cp,gas 1456.22 J/mol×K 1191.49 Joback Calculated Property
Cp,gas 1468.10 J/mol×K 1230.93 Joback Calculated Property
Cp,gas 1478.67 J/mol×K 1270.37 Joback Calculated Property

Similar Compounds

D-Alanine, N-(4-ethylbenzoyl)-, dodecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, decyl ester. D-Alanine, N-(4-ethylbenzoyl)-, tetradecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, pentadecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, nonyl ester. D-Alanine, N-(4-ethylbenzoyl)-, tridecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, undecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, heptadecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, heptyl ester. D-Alanine, N-(4-ethylbenzoyl)-, hexyl ester. D-Alanine, N-(4-ethylbenzoyl)-, pentyl ester. D-Alanine, N-(4-ethylbenzoyl)-, isohexyl ester. D-Alanine, N-(4-butylbenzoyl)-, pentadecyl ester. D-Alanine, N-(4-butylbenzoyl)-, tridecyl ester. D-Alanine, N-(4-butylbenzoyl)-, hexyl ester.

Find more compounds similar to D-Alanine, N-(4-ethylbenzoyl)-, hexadecyl ester.

Sources

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