Chemical Properties of «beta»-Alanine, N-(4-butylbenzoyl)-, isohexyl ester

«beta»-Alanine, N-(4-butylbenzoyl)-, isohexyl ester

InChI
InChI=1S/C20H31NO3/c1-4-5-8-17-9-11-18(12-10-17)20(23)21-14-13-19(22)24-15-6-7-16(2)3/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,23)
InChI Key
REGBGZOAQLTASJ-UHFFFAOYSA-N
Formula
C20H31NO3
SMILES
CCCCc1ccc(C(=O)NCCC(=O)OCCCC(C)C)cc1
Molecular Weight1
333.46
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Physical Properties

Property Value Unit Source
ΔfusH° 47.17 kJ/mol Joback Calculated Property
logPoct/wat 4.129 Crippen Calculated Property
McVol 287.890 ml/mol McGowan Calculated Property
Inp 2683.00 NIST
Tboil 659.28 K Relay (1.0) Calculated Property
Tfus 319.01 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [908.49; 987.66] J/mol×K [868.55; 1073.74] Show Hide
Cp,gas 908.49 J/mol×K 868.55 Joback Calculated Property
Cp,gas 924.40 J/mol×K 902.75 Joback Calculated Property
Cp,gas 939.17 J/mol×K 936.95 Joback Calculated Property
Cp,gas 952.84 J/mol×K 971.14 Joback Calculated Property
Cp,gas 965.45 J/mol×K 1005.34 Joback Calculated Property
Cp,gas 977.04 J/mol×K 1039.54 Joback Calculated Property
Cp,gas 987.66 J/mol×K 1073.74 Joback Calculated Property

Similar Compounds

«beta»-Alanine, N-(4-butylbenzoyl)-, hexyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, pentyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, heptyl ester. .beta.-Alanine, N-(4-butylbenzoyl)-, undecyl ester. .beta.-Alanine, N-(4-butylbenzoyl)-, decyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, octyl ester. .beta.-Alanine, N-(4-butylbenzoyl)-, nonyl ester. «beta»-Alanine, N-(4-ethylbenzoyl)-, isohexyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, butyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, propyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, isobutyl ester. .beta.-Alanine, N-(4-ethylbenzoyl)-, dodecyl ester. «beta»-Alanine, N-(4-ethylbenzoyl)-, undecyl ester. .beta.-Alanine, N-(4-ethylbenzoyl)-, octyl ester. .beta.-Alanine, N-(4-ethylbenzoyl)-, decyl ester.

Find more compounds similar to «beta»-Alanine, N-(4-butylbenzoyl)-, isohexyl ester.

Sources

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