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

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

PDF Excel Molecule Calculator
InChI
InChI=1S/C20H31NO3/c1-4-5-8-17-9-11-18(12-10-17)20(23)21-14-13-19(22)24-15-6-7-16(2)3/h9-12,16H,4-8,13-15H2,1-3H3,(H,21,23)
InChI Key
REGBGZOAQLTASJ-UHFFFAOYSA-N
Formula
C20H31NO3
SMILES
CCCCc1ccc(C(=O)NCCC(=O)OCCCC(C)C)cc1
Molecular Weight1
333.46
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
Δf -55.59 kJ/mol Joback Calculated Property
Δfgas -540.26 kJ/mol Joback Calculated Property
Δfus 47.17 kJ/mol Joback Calculated Property
Δvap 85.00 kJ/mol Joback Calculated Property
log10WS -5.43 Crippen Calculated Property
logPoct/wat 4.128 Crippen Calculated Property
McVol 287.890 ml/mol McGowan Calculated Property
Pc 1379.91 kPa Joback Calculated Property
Inp [2683.00; 2683.00]   Show Hide
Inp 2683.00 NIST
Inp 2683.00 NIST
Tboil 868.55 K Joback Calculated Property
Tc 1073.74 K Joback Calculated Property
Tfus 513.85 K Joback Calculated Property
Vc 1.107 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [908.49; 987.66] J/mol×K [868.55; 1073.74] Show Hide
Cp,gas 908.49 J/mol×K 868.55 Joback Calculated Property
Cp,gas 924.40 J/mol×K 902.75 Joback Calculated Property
Cp,gas 939.17 J/mol×K 936.95 Joback Calculated Property
Cp,gas 952.84 J/mol×K 971.14 Joback Calculated Property
Cp,gas 965.45 J/mol×K 1005.34 Joback Calculated Property
Cp,gas 977.04 J/mol×K 1039.54 Joback Calculated Property
Cp,gas 987.66 J/mol×K 1073.74 Joback Calculated Property

Similar Compounds

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

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