Chemical Properties of .beta.-Alanine, N-(4-methylbenzoyl)-, isobutyl ester

.beta.-Alanine, N-(4-methylbenzoyl)-, isobutyl ester

InChI
InChI=1S/C15H21NO3/c1-11(2)10-19-14(17)8-9-16-15(18)13-6-4-12(3)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,16,18)
InChI Key
ZEFRNTVYWORXET-UHFFFAOYSA-N
Formula
C15H21NO3
SMILES
Cc1ccc(C(=O)NCCC(=O)OCC(C)C)cc1
Molecular Weight1
263.34
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Physical Properties

Property Value Unit Source
ΔfH°gas -585.41 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.80 kJ/mol Joback Calculated Property
ΔvapH° 93.60 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.314 Crippen Calculated Property
McVol 217.440 ml/mol McGowan Calculated Property
Pc 1970.05 kPa Joback Calculated Property
Inp 2182.00 NIST
Tboil 621.85 K Relay (1.0) Calculated Property
Tc 832.43 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, 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 [617.07; 691.62] J/mol×K [736.28; 943.14] Show Hide
Cp,gas 617.07 J/mol×K 736.28 Joback Calculated Property
Cp,gas 631.99 J/mol×K 770.76 Joback Calculated Property
Cp,gas 645.88 J/mol×K 805.23 Joback Calculated Property
Cp,gas 658.76 J/mol×K 839.71 Joback Calculated Property
Cp,gas 670.66 J/mol×K 874.19 Joback Calculated Property
Cp,gas 681.60 J/mol×K 908.66 Joback Calculated Property
Cp,gas 691.62 J/mol×K 943.14 Joback Calculated Property

Similar Compounds

«beta»-Alanine, N-(3-methylbenzoyl)-, isobutyl ester. .BETA.-alanine, n-(4-methylbenzoyl)-, ethyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, butyl ester. «beta»-Alanine, N-(4-ethylbenzoyl)-, isobutyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, hexyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, pentyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, heptyl ester. .beta.-Alanine, N-(4-methylbenzoyl)-, decyl ester. .beta.-Alanine, N-(4-methylbenzoyl)-, octyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, nonyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, undecyl ester. .beta.-Alanine, N-(4-methylbenzoyl)-, dodecyl ester. .beta.-Alanine, N-(4-methylbezoyl)-, tetradecyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, isohexyl ester. .BETA.-alanine, n-(4-ethylbenzoyl)-, propyl ester.

Find more compounds similar to .beta.-Alanine, N-(4-methylbenzoyl)-, isobutyl ester.

Sources

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