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

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

InChI
InChI=1S/C22H35NO3/c1-3-5-7-8-9-10-18-26-21(24)16-17-23-22(25)20-14-12-19(13-15-20)11-6-4-2/h12-15H,3-11,16-18H2,1-2H3,(H,23,25)
InChI Key
KZXQFZBRNQWWGH-UHFFFAOYSA-N
Formula
C22H35NO3
SMILES
CCCCCCCCOC(=O)CCNC(=O)c1ccc(CCCC)cc1
Molecular Weight1
361.52
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 57.45 kJ/mol Joback Calculated Property
ΔvapH° 118.84 kJ/mol Relay (1.0) Calculated Property
log10WS -5.80 Relay (1.0) Calculated Property
logPoct/wat 5.053 Crippen Calculated Property
McVol 316.070 ml/mol McGowan Calculated Property
Pc 1162.45 kPa Joback Calculated Property
Inp [2997.00; 2997.00]   Show Hide
Inp 2997.00 NIST
Inp 2997.00 NIST
Tboil 672.32 K Relay (1.0) Calculated Property
Tfus 308.93 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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 [1021.12; 1101.62] J/mol×K [896.88; 1101.47] Show Hide
Cp,gas 1021.12 J/mol×K 896.88 Joback Calculated Property
Cp,gas 1037.44 J/mol×K 930.98 Joback Calculated Property
Cp,gas 1052.54 J/mol×K 965.08 Joback Calculated Property
Cp,gas 1066.46 J/mol×K 999.18 Joback Calculated Property
Cp,gas 1079.25 J/mol×K 1033.27 Joback Calculated Property
Cp,gas 1090.95 J/mol×K 1067.37 Joback Calculated Property
Cp,gas 1101.62 J/mol×K 1101.47 Joback Calculated Property

Similar Compounds

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

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

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.