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

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

InChI
InChI=1S/C17H25NO3/c1-4-6-7-12-21-17(20)13(3)18-16(19)15-10-8-14(5-2)9-11-15/h8-11,13H,4-7,12H2,1-3H3,(H,18,19)
InChI Key
IXZURCQNPSXJAY-UHFFFAOYSA-N
Formula
C17H25NO3
SMILES
CCCCCOC(=O)C(C)NC(=O)c1ccc(CC)cc1
Molecular Weight1
291.39
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Physical Properties

Property Value Unit Source
ω 0.8126 Relay (1.0) Calculated Property
ΔfusH° 40.98 kJ/mol Joback Calculated Property
log10WS -4.20 Relay (1.0) Calculated Property
logPoct/wat 3.101 Crippen Calculated Property
McVol 245.620 ml/mol McGowan Calculated Property
Pc 1672.79 kPa Joback Calculated Property
Inp 2327.00 NIST
Tboil 608.55 K Relay (1.0) Calculated Property
Tc 841.79 K Relay (1.0) Calculated Property
Tfus 315.06 K Relay (1.0) Calculated Property
Vc 0.896 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, 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 [728.27; 805.21] J/mol×K [782.04; 985.42] Show Hide
Cp,gas 728.27 J/mol×K 782.04 Joback Calculated Property
Cp,gas 743.69 J/mol×K 815.94 Joback Calculated Property
Cp,gas 758.04 J/mol×K 849.83 Joback Calculated Property
Cp,gas 771.33 J/mol×K 883.73 Joback Calculated Property
Cp,gas 783.60 J/mol×K 917.63 Joback Calculated Property
Cp,gas 794.89 J/mol×K 951.52 Joback Calculated Property
Cp,gas 805.21 J/mol×K 985.42 Joback Calculated Property

Similar Compounds

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

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

Sources

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