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

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

InChI
InChI=1S/C21H33NO3/c1-3-5-7-8-9-17-25-20(23)15-16-22-21(24)19-13-11-18(12-14-19)10-6-4-2/h11-14H,3-10,15-17H2,1-2H3,(H,22,24)
InChI Key
ARQXGAOKIWWROC-UHFFFAOYSA-N
Formula
C21H33NO3
SMILES
CCCCCCCOC(=O)CCNC(=O)c1ccc(CCCC)cc1
Molecular Weight1
347.49
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Physical Properties

Property Value Unit Source
ΔfusH° 54.87 kJ/mol Joback Calculated Property
ΔvapH° 115.16 kJ/mol Relay (1.0) Calculated Property
log10WS -5.51 Relay (1.0) Calculated Property
logPoct/wat 4.663 Crippen Calculated Property
McVol 301.980 ml/mol McGowan Calculated Property
Pc 1242.46 kPa Joback Calculated Property
Inp 2855.00 NIST
Tboil 665.53 K Relay (1.0) Calculated Property
Tfus 307.28 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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 [960.95; 1040.71] J/mol×K [874.00; 1076.37] Show Hide
Cp,gas 960.95 J/mol×K 874.00 Joback Calculated Property
Cp,gas 977.05 J/mol×K 907.73 Joback Calculated Property
Cp,gas 991.97 J/mol×K 941.46 Joback Calculated Property
Cp,gas 1005.75 J/mol×K 975.18 Joback Calculated Property
Cp,gas 1018.44 J/mol×K 1008.91 Joback Calculated Property
Cp,gas 1030.08 J/mol×K 1042.64 Joback Calculated Property
Cp,gas 1040.71 J/mol×K 1076.37 Joback Calculated Property

Similar Compounds

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

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

Sources

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