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

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

InChI
InChI=1S/C17H25NO3/c1-13(2)6-5-11-21-16(19)9-10-18-17(20)15-8-4-7-14(3)12-15/h4,7-8,12-13H,5-6,9-11H2,1-3H3,(H,18,20)
InChI Key
FFFIGCZGYBFMAM-UHFFFAOYSA-N
Formula
C17H25NO3
SMILES
Cc1cccc(C(=O)NCCC(=O)OCCCC(C)C)c1
Molecular Weight1
291.39
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Physical Properties

Property Value Unit Source
ΔfusH° 39.40 kJ/mol Joback Calculated Property
logPoct/wat 3.094 Crippen Calculated Property
McVol 245.620 ml/mol McGowan Calculated Property
Inp [2369.00; 2369.00]   Show Hide
Inp 2369.00 NIST
Inp 2369.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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 [733.88; 810.35] J/mol×K [799.91; 1005.41] Show Hide
Cp,gas 733.88 J/mol×K 799.91 Joback Calculated Property
Cp,gas 749.14 J/mol×K 834.16 Joback Calculated Property
Cp,gas 763.35 J/mol×K 868.41 Joback Calculated Property
Cp,gas 776.54 J/mol×K 902.66 Joback Calculated Property
Cp,gas 788.75 J/mol×K 936.91 Joback Calculated Property
Cp,gas 800.01 J/mol×K 971.16 Joback Calculated Property
Cp,gas 810.35 J/mol×K 1005.41 Joback Calculated Property

Similar Compounds

«beta»-Alanine, N-(3-methylbenzoyl)-, hexyl ester. .beta.-Alanine, N-(3-methylbenzoyl)-, decyl ester. .beta.-Alanine, N-(3-methylbenzoyl)-, octyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, heptyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, undecyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, butyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, isohexyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, isohexyl ester. «beta»-Alanine, N-(2-methylbenzoyl)-, isohexyl ester. «beta»-Alanine, N-(4-ethylbenzoyl)-, isohexyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, pentyl ester. .beta.-Alanine, N-(3-bromobenzoyl)-, isohexyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, hexyl ester. «beta»-Alanine, N-(4-methylbenzoyl)-, hexyl ester. «beta»-Alanine, N-(3-trifluoromethylbenzoyl)-, pentyl ester.

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

Sources

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