Chemical Properties of «beta»-Alanine, N-(3-methylbenzoyl)-, isobutyl ester

«beta»-Alanine, N-(3-methylbenzoyl)-, isobutyl ester

InChI
InChI=1S/C15H21NO3/c1-11(2)10-19-14(17)7-8-16-15(18)13-6-4-5-12(3)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,18)
InChI Key
FOUDYOJQINQPBV-UHFFFAOYSA-N
Formula
C15H21NO3
SMILES
Cc1cccc(C(=O)NCCC(=O)OCC(C)C)c1
Molecular Weight1
263.33
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Physical Properties

Property Value Unit Source
ΔfusH° 35.80 kJ/mol Joback Calculated Property
IE 8.90 eV Relay (1.0) Calculated Property
logPoct/wat 2.314 Crippen Calculated Property
McVol 217.440 ml/mol McGowan Calculated Property
Inp 2156.00 NIST
Tboil 620.26 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, 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-(4-methylbenzoyl)-, isobutyl ester. «beta»- Alanine, N-(3-methylbenzoyl)-, ethyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, butyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, hexyl ester. .beta.-Alanine, N-(3-methylbenzoyl)-, octyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, undecyl ester. .beta.-Alanine, N-(3-methylbenzoyl)-, decyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, heptyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, isohexyl ester. «beta»-Alanine, N-(4-ethylbenzoyl)-, isobutyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, propyl ester. «beta»-Alanine, N-(3-bromobenzoyl)-, isobutyl ester. «beta»-Alanine, N-(2-methylbenzoyl)-, propyl ester. «beta»-Alanine, N-(3-methoxybenzoyl)-, isobutyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, ethyl ester.

Find more compounds similar to «beta»-Alanine, N-(3-methylbenzoyl)-, isobutyl ester.

Sources

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