Chemical Properties of «beta»-Alanine, N-(3-methylbenzoyl)-, tetradecyl ester

«beta»-Alanine, N-(3-methylbenzoyl)-, tetradecyl ester

InChI
InChI=1S/C25H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-29-24(27)18-19-26-25(28)23-17-15-16-22(2)21-23/h15-17,21H,3-14,18-20H2,1-2H3,(H,26,28)
InChI Key
SSYWIVACJVMATO-UHFFFAOYSA-N
Formula
C25H41NO3
SMILES
CCCCCCCCCCCCCCOC(=O)CCN=C(O)c1cccc(C)c1
Molecular Weight1
403.60
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Physical Properties

Property Value Unit Source
ω 1.2909 Relay (1.0) Calculated Property
ΔfH°gas -777.89 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 149.35 kJ/mol Relay (1.0) Calculated Property
IE 8.68 eV Relay (1.0) Calculated Property
log10WS -6.66 Relay (1.0) Calculated Property
logPoct/wat 6.934 Crippen Calculated Property
McVol 358.340 ml/mol McGowan Calculated Property
Pc 915.50 kPa Joback Calculated Property
Tboil 700.64 K Relay (1.0) Calculated Property
Tc 917.01 K Relay (1.0) Calculated Property
Tfus 348.28 K Relay (1.0) Calculated Property
Vc 1.339 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

«beta»-Alanine, N-(3-methylbenzoyl)-, nonyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, dodecyl ester. «beta»-Alanine, N-(2-methylbenzoyl)-, dodecyl ester. «beta»-Alanine, N-(1-naphthoyl)-, octyl ester. «beta»-Alanine, N-(1-naphthoyl)-, decyl ester. «beta»-Alanine, N-(3-methoxybenzoyl)-, nonyl ester. «beta»-Alanine, N-(3-methoxybenzoyl)-, heptyl ester. «beta»-Alanine, N-(1-naphthoyl)-, pentyl ester. L-Valine, N-(3-methylbenzoyl)-, pentadecyl ester. L-Valine, N-(3-methylbenzoyl)-, tetradecyl ester. Isophthalic acid, monoamide, N-butyl-, hexyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, hexyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, heptyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, pentyl ester. Isophthalic acid, monoamide, N-(2-ethylhexyl)-, isohexyl ester.

Find more compounds similar to «beta»-Alanine, N-(3-methylbenzoyl)-, tetradecyl ester.

Sources

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