Chemical Properties of «beta»-Alanine, N-(4-ethylbenzoyl)-, isohexyl ester

«beta»-Alanine, N-(4-ethylbenzoyl)-, isohexyl ester

InChI
InChI=1S/C18H27NO3/c1-4-15-7-9-16(10-8-15)18(21)19-12-11-17(20)22-13-5-6-14(2)3/h7-10,14H,4-6,11-13H2,1-3H3,(H,19,21)
InChI Key
MCFDIPXWAVUTGP-UHFFFAOYSA-N
Formula
C18H27NO3
SMILES
CCc1ccc(C(=O)NCCC(=O)OCCCC(C)C)cc1
Molecular Weight1
305.41
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Physical Properties

Property Value Unit Source
ΔfusH° 43.57 kJ/mol Joback Calculated Property
logPoct/wat 3.348 Crippen Calculated Property
McVol 259.710 ml/mol McGowan Calculated Property
Inp 2480.00 NIST
Tboil 638.38 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, 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 [785.32; 863.16] J/mol×K [804.92; 1007.40] Show Hide
Cp,gas 785.32 J/mol×K 804.92 Joback Calculated Property
Cp,gas 800.95 J/mol×K 838.67 Joback Calculated Property
Cp,gas 815.48 J/mol×K 872.41 Joback Calculated Property
Cp,gas 828.93 J/mol×K 906.16 Joback Calculated Property
Cp,gas 841.33 J/mol×K 939.90 Joback Calculated Property
Cp,gas 852.73 J/mol×K 973.65 Joback Calculated Property
Cp,gas 863.16 J/mol×K 1007.40 Joback Calculated Property

Similar Compounds

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

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

Sources

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