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

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

InChI
InChI=1S/C26H43NO3/c1-4-6-8-9-10-11-12-13-14-15-21-30-26(29)22(3)27-25(28)24-19-17-23(18-20-24)16-7-5-2/h17-20,22H,4-16,21H2,1-3H3,(H,27,28)
InChI Key
KIPISLLURSFBED-UHFFFAOYSA-N
Formula
C26H43NO3
SMILES
CCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(CCCC)cc1
Molecular Weight1
417.63
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Physical Properties

Property Value Unit Source
ΔfusH° 64.29 kJ/mol Joback Calculated Property
log10WS -6.91 Relay (1.0) Calculated Property
logPoct/wat 6.612 Crippen Calculated Property
McVol 372.430 ml/mol McGowan Calculated Property
Pc 913.29 kPa Joback Calculated Property
Inp [3227.00; 3227.00]   Show Hide
Inp 3227.00 NIST
Inp 3227.00 NIST
Tboil 678.52 K Relay (1.0) Calculated Property
Tfus 330.64 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 [1267.87; 1351.01] J/mol×K [987.96; 1210.01] Show Hide
Cp,gas 1267.87 J/mol×K 987.96 Joback Calculated Property
Cp,gas 1285.23 J/mol×K 1024.97 Joback Calculated Property
Cp,gas 1301.08 J/mol×K 1061.98 Joback Calculated Property
Cp,gas 1315.52 J/mol×K 1098.98 Joback Calculated Property
Cp,gas 1328.60 J/mol×K 1135.99 Joback Calculated Property
Cp,gas 1340.41 J/mol×K 1173.00 Joback Calculated Property
Cp,gas 1351.01 J/mol×K 1210.01 Joback Calculated Property

Similar Compounds

D-Alanine, N-(4-butylbenzoyl)-, heptyl ester. D-Alanine, N-(4-butylbenzoyl)-, pentadecyl ester. D-Alanine, N-(4-butylbenzoyl)-, hexyl 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)-, dodecyl ester.

Sources

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