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

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

InChI
InChI=1S/C29H49NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-24-33-29(32)25(3)30-28(31)27-22-20-26(21-23-27)19-7-5-2/h20-23,25H,4-19,24H2,1-3H3,(H,30,31)
InChI Key
PTPLVYOEOJGLJE-UHFFFAOYSA-N
Formula
C29H49NO3
SMILES
CCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(CCCC)cc1
Molecular Weight1
459.71
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Physical Properties

Property Value Unit Source
ΔfusH° 72.06 kJ/mol Joback Calculated Property
log10WS -7.77 Relay (1.0) Calculated Property
logPoct/wat 7.782 Crippen Calculated Property
McVol 414.700 ml/mol McGowan Calculated Property
Pc 772.89 kPa Joback Calculated Property
Inp 3543.00 NIST
Tboil 698.31 K Relay (1.0) Calculated Property
Tfus 335.49 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 [1457.19; 1543.21] J/mol×K [1056.60; 1302.42] Show Hide
Cp,gas 1457.19 J/mol×K 1056.60 Joback Calculated Property
Cp,gas 1475.68 J/mol×K 1097.57 Joback Calculated Property
Cp,gas 1492.35 J/mol×K 1138.54 Joback Calculated Property
Cp,gas 1507.32 J/mol×K 1179.51 Joback Calculated Property
Cp,gas 1520.72 J/mol×K 1220.48 Joback Calculated Property
Cp,gas 1532.64 J/mol×K 1261.45 Joback Calculated Property
Cp,gas 1543.21 J/mol×K 1302.42 Joback Calculated Property

Similar Compounds

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

Sources

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