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

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

InChI
InChI=1S/C17H25NO3/c1-3-5-6-14-7-9-15(10-8-14)17(20)18-12-11-16(19)21-13-4-2/h7-10H,3-6,11-13H2,1-2H3,(H,18,20)
InChI Key
MLXNMDBZKDIUHF-UHFFFAOYSA-N
Formula
C17H25NO3
SMILES
CCCCc1ccc(C(=O)NCCC(=O)OCCC)cc1
Molecular Weight1
291.39
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Physical Properties

Property Value Unit Source
ΔfusH° 44.50 kJ/mol Joback Calculated Property
ΔvapH° 100.34 kJ/mol Relay (1.0) Calculated Property
log10WS -4.29 Relay (1.0) Calculated Property
logPoct/wat 3.102 Crippen Calculated Property
McVol 245.620 ml/mol McGowan Calculated Property
Pc 1661.90 kPa Joback Calculated Property
Inp 2430.00 NIST
Tboil 638.50 K Relay (1.0) Calculated Property
Tc 851.27 K Relay (1.0) Calculated Property
Tfus 303.78 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [727.72; 804.02] J/mol×K [782.48; 983.29] Show Hide
Cp,gas 727.72 J/mol×K 782.48 Joback Calculated Property
Cp,gas 742.95 J/mol×K 815.95 Joback Calculated Property
Cp,gas 757.14 J/mol×K 849.42 Joback Calculated Property
Cp,gas 770.31 J/mol×K 882.88 Joback Calculated Property
Cp,gas 782.49 J/mol×K 916.35 Joback Calculated Property
Cp,gas 793.72 J/mol×K 949.82 Joback Calculated Property
Cp,gas 804.02 J/mol×K 983.29 Joback Calculated Property

Similar Compounds

«beta»-Alanine, N-(4-butylbenzoyl)-, butyl ester. .beta.-Alanine, N-(4-butylbenzoyl)-, ethyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, isobutyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, pentyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, hexyl ester. «beta»-Alanine, N-(4-butylbenzoyl)-, octyl ester. .beta.-Alanine, N-(4-butylbenzoyl)-, undecyl 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)-, butyl ester. .BETA.-alanine, n-(4-ethylbenzoyl)-, propyl ester. «beta»-Alanine, N-(4-ethylbenzoyl)-, undecyl ester. .beta.-Alanine, N-(4-ethylbenzoyl)-, decyl ester.

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

Sources

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