Chemical Properties of «beta»-Alanine, N-(4-butylbenzoyl)-, isobutyl ester

«beta»-Alanine, N-(4-butylbenzoyl)-, isobutyl ester

InChI
InChI=1S/C18H27NO3/c1-4-5-6-15-7-9-16(10-8-15)18(21)19-12-11-17(20)22-13-14(2)3/h7-10,14H,4-6,11-13H2,1-3H3,(H,19,21)
InChI Key
JKJDPQSTDFTUNG-UHFFFAOYSA-N
Formula
C18H27NO3
SMILES
CCCCc1ccc(C(=O)NCCC(=O)OCC(C)C)cc1
Molecular Weight1
305.41
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Physical Properties

Property Value Unit Source
ΔfH°gas -648.22 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 43.57 kJ/mol Joback Calculated Property
ΔvapH° 101.49 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.348 Crippen Calculated Property
McVol 259.710 ml/mol McGowan Calculated Property
Pc 1548.78 kPa Joback Calculated Property
Inp 2478.00 NIST
Tboil 644.85 K Relay (1.0) Calculated Property
Tc 855.68 K Relay (1.0) Calculated Property
Tfus 313.80 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [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-butylbenzoyl)-, propyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, butyl ester. .beta.-Alanine, N-(4-butylbenzoyl)-, ethyl 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)-, octyl ester. .beta.-Alanine, N-(4-butylbenzoyl)-, decyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, heptyl ester. .beta.-Alanine, N-(4-butylbenzoyl)-, nonyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, isohexyl ester. «beta»-Alanine, N-(4-ethylbenzoyl)-, isobutyl ester. «beta»-Alanine, N-(4-ethylbenzoyl)-, butyl ester. «beta»-Alanine, N-(4-ethylbenzoyl)-, isohexyl ester. .BETA.-alanine, n-(4-ethylbenzoyl)-, propyl ester.

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

Sources

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