Chemical Properties of D-Alanine, N-(4-butylbenzoyl)-, hexyl ester

D-Alanine, N-(4-butylbenzoyl)-, hexyl ester

InChI
InChI=1S/C20H31NO3/c1-4-6-8-9-15-24-20(23)16(3)21-19(22)18-13-11-17(12-14-18)10-7-5-2/h11-14,16H,4-10,15H2,1-3H3,(H,21,22)
InChI Key
FNTCXASHEVHNLQ-UHFFFAOYSA-N
Formula
C20H31NO3
SMILES
CCCCCCOC(=O)C(C)NC(=O)c1ccc(CCCC)cc1
Molecular Weight1
333.46
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Physical Properties

Property Value Unit Source
ΔfusH° 48.75 kJ/mol Joback Calculated Property
log10WS -5.17 Relay (1.0) Calculated Property
logPoct/wat 4.271 Crippen Calculated Property
McVol 287.890 ml/mol McGowan Calculated Property
Pc 1338.82 kPa Joback Calculated Property
Inp 2623.00 NIST
Tboil 637.07 K Relay (1.0) Calculated Property
Tfus 318.91 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 [901.98; 981.24] J/mol×K [850.68; 1053.26] Show Hide
Cp,gas 901.98 J/mol×K 850.68 Joback Calculated Property
Cp,gas 917.98 J/mol×K 884.44 Joback Calculated Property
Cp,gas 932.81 J/mol×K 918.21 Joback Calculated Property
Cp,gas 946.51 J/mol×K 951.97 Joback Calculated Property
Cp,gas 959.12 J/mol×K 985.73 Joback Calculated Property
Cp,gas 970.69 J/mol×K 1019.49 Joback Calculated Property
Cp,gas 981.24 J/mol×K 1053.26 Joback Calculated Property

Similar Compounds

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

Find more compounds similar to D-Alanine, N-(4-butylbenzoyl)-, hexyl ester.

Sources

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