Chemical Properties of D-Alanine, N-(4-butylbenzoyl)-, pentyl ester

D-Alanine, N-(4-butylbenzoyl)-, pentyl ester

InChI
InChI=1S/C19H29NO3/c1-4-6-8-14-23-19(22)15(3)20-18(21)17-12-10-16(11-13-17)9-7-5-2/h10-13,15H,4-9,14H2,1-3H3,(H,20,21)
InChI Key
XFUWYBSDJXIXSA-UHFFFAOYSA-N
Formula
C19H29NO3
SMILES
CCCCCOC(=O)C(C)NC(=O)c1ccc(CCCC)cc1
Molecular Weight1
319.44
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Physical Properties

Property Value Unit Source
ΔfusH° 46.16 kJ/mol Joback Calculated Property
log10WS -4.85 Relay (1.0) Calculated Property
logPoct/wat 3.881 Crippen Calculated Property
McVol 273.800 ml/mol McGowan Calculated Property
Pc 1438.07 kPa Joback Calculated Property
Inp [2523.00; 2523.00]   Show Hide
Inp 2523.00 NIST
Inp 2523.00 NIST
Tboil 629.42 K Relay (1.0) Calculated Property
Tfus 318.20 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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 [843.25; 921.85] J/mol×K [827.80; 1029.99] Show Hide
Cp,gas 843.25 J/mol×K 827.80 Joback Calculated Property
Cp,gas 859.07 J/mol×K 861.50 Joback Calculated Property
Cp,gas 873.75 J/mol×K 895.20 Joback Calculated Property
Cp,gas 887.33 J/mol×K 928.90 Joback Calculated Property
Cp,gas 899.85 J/mol×K 962.59 Joback Calculated Property
Cp,gas 911.34 J/mol×K 996.29 Joback Calculated Property
Cp,gas 921.85 J/mol×K 1029.99 Joback Calculated Property

Similar Compounds

D-Alanine, N-(4-butylbenzoyl)-, dodecyl ester. D-Alanine, N-(4-butylbenzoyl)-, pentadecyl ester. D-Alanine, N-(4-butylbenzoyl)-, heptyl ester. D-Alanine, N-(4-butylbenzoyl)-, tridecyl ester. D-Alanine, N-(4-butylbenzoyl)-, hexyl ester. D-Alanine, N-(4-butylbenzoyl)-, isohexyl ester. D-Alanine, N-(4-ethylbenzoyl)-, pentyl ester. D-Alanine, N-(4-ethylbenzoyl)-, isohexyl ester. D-Alanine, N-(4-ethylbenzoyl)-, tetradecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, hexyl ester. D-Alanine, N-(4-ethylbenzoyl)-, undecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, hexadecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, dodecyl ester. D-Alanine, N-(4-ethylbenzoyl)-, nonyl ester. D-Alanine, N-(4-ethylbenzoyl)-, heptadecyl ester.

Find more compounds similar to D-Alanine, N-(4-butylbenzoyl)-, pentyl ester.

Sources

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