Chemical Properties of «beta»-Alanine, N-(3-methoxybenzoyl)-, heptyl ester

«beta»-Alanine, N-(3-methoxybenzoyl)-, heptyl ester

InChI
InChI=1S/C18H27NO4/c1-3-4-5-6-7-13-23-17(20)11-12-19-18(21)15-9-8-10-16(14-15)22-2/h8-10,14H,3-7,11-13H2,1-2H3,(H,19,21)
InChI Key
JQACRQIWEWZDOZ-UHFFFAOYSA-N
Formula
C18H27NO4
SMILES
CCCCCCCOC(=O)CCN=C(O)c1cccc(OC)c1
Molecular Weight1
321.41
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Physical Properties

Property Value Unit Source
ΔfH°gas -735.65 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 124.92 kJ/mol Relay (1.0) Calculated Property
IE 8.38 eV Relay (1.0) Calculated Property
log10WS -4.37 Relay (1.0) Calculated Property
logPoct/wat 3.904 Crippen Calculated Property
McVol 265.580 ml/mol McGowan Calculated Property
Pc 1423.99 kPa Joback Calculated Property
Inp [2645.00; 2645.00]   Show Hide
Inp 2645.00 NIST
Inp 2645.00 NIST
Tboil 663.60 K Relay (1.0) Calculated Property
Tfus 339.93 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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.

Similar Compounds

«beta»-Alanine, N-(3-methoxybenzoyl)-, nonyl ester. «beta»-Alanine, N-(1-naphthoyl)-, octyl ester. «beta»-Alanine, N-(1-naphthoyl)-, decyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, dodecyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, nonyl ester. «beta»-Alanine, N-(3-methylbenzoyl)-, tetradecyl ester. «beta»-Alanine, N-(1-naphthoyl)-, pentyl ester. «beta»-Alanine, N-(2-methylbenzoyl)-, dodecyl ester. L-Valine, N-(2-methoxybenzoyl)-, heptyl ester. L-Valine, N-(2-methoxybenzoyl)-, pentadecyl ester. L-Valine, N-(2-methoxybenzoyl)-, decyl ester. L-Valine, N-(2-methoxybenzoyl)-, tetradecyl ester. L-Valine, N-(2-methoxybenzoyl)-, dodecyl ester. L-Valine, N-(2-methoxybenzoyl)-, pentyl ester. L-Valine, N-(3-fluorobenzoyl)-, pentadecyl ester.

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

Sources

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