Chemical Properties of L-Alanine, N-(4-butylbenzoyl)-, methyl ester

L-Alanine, N-(4-butylbenzoyl)-, methyl ester

InChI
InChI=1S/C15H21NO3/c1-4-5-6-12-7-9-13(10-8-12)14(17)16-11(2)15(18)19-3/h7-11H,4-6H2,1-3H3,(H,16,17)
InChI Key
SHIVHQBYQKEZEA-UHFFFAOYSA-N
Formula
C15H21NO3
SMILES
CCCCc1ccc(C(=O)NC(C)C(=O)OC)cc1
Molecular Weight1
263.34
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Physical Properties

Property Value Unit Source
ΔfusH° 34.22 kJ/mol Joback Calculated Property
IE 8.62 eV Relay (1.0) Calculated Property
logPoct/wat 2.321 Crippen Calculated Property
McVol 217.440 ml/mol McGowan Calculated Property
Inp 2074.00 NIST
Tboil 596.35 K Relay (1.0) Calculated Property
Tfus 343.00 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, 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 [622.01; 695.89] J/mol×K [754.15; 962.94] Show Hide
Cp,gas 622.01 J/mol×K 754.15 Joback Calculated Property
Cp,gas 636.72 J/mol×K 788.95 Joback Calculated Property
Cp,gas 650.44 J/mol×K 823.75 Joback Calculated Property
Cp,gas 663.19 J/mol×K 858.55 Joback Calculated Property
Cp,gas 675.00 J/mol×K 893.35 Joback Calculated Property
Cp,gas 685.89 J/mol×K 928.15 Joback Calculated Property
Cp,gas 695.89 J/mol×K 962.94 Joback Calculated Property

Similar Compounds

D-Alanine, N-(4-butylbenzoyl)-, pentyl ester. D-Alanine, N-(4-butylbenzoyl)-, heptyl ester. D-Alanine, N-(4-butylbenzoyl)-, tridecyl ester. D-Alanine, N-(4-butylbenzoyl)-, dodecyl ester. D-Alanine, N-(4-butylbenzoyl)-, hexyl ester. D-Alanine, N-(4-butylbenzoyl)-, pentadecyl ester. D-Alanine, N-(4-butylbenzoyl)-, isohexyl ester. L-phenylalanine, n-(4-butylbenzoyl)-, methyl ester. l-Valine, N-(4-butylbenzoyl)-, methyl ester. D-Alanine, N-(4-ethylbenzoyl)-, pentyl ester. l-Methionine, N-(4-butylbenzoyl)-, methyl ester. Glycine, N-(4-butylbenzoyl)-, methyl ester. D-Alanine, N-(4-ethylbenzoyl)-, isohexyl ester. D-Alanine, N-(4-ethylbenzoyl)-, hexadecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, tetradecyl ester.

Find more compounds similar to L-Alanine, N-(4-butylbenzoyl)-, methyl ester.

Sources

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