Chemical Properties of D-Alanine, N-(2-chlorobenzoyl)-, propyl ester

D-Alanine, N-(2-chlorobenzoyl)-, propyl ester

InChI
InChI=1S/C13H16ClNO3/c1-3-8-18-13(17)9(2)15-12(16)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,16)
InChI Key
VGTRQCWOAIEZNT-UHFFFAOYSA-N
Formula
C13H16ClNO3
SMILES
CCCOC(=O)C(C)NC(=O)c1ccccc1Cl
Molecular Weight1
269.72
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Physical Properties

Property Value Unit Source
ΔfusH° 34.82 kJ/mol Joback Calculated Property
log10WS -3.49 Relay (1.0) Calculated Property
logPoct/wat 2.411 Crippen Calculated Property
McVol 201.500 ml/mol McGowan Calculated Property
Pc 2271.90 kPa Joback Calculated Property
Inp [2035.00; 2035.00]   Show Hide
Inp 2035.00 NIST
Inp 2035.00 NIST
Tboil 586.81 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [535.77; 599.81] J/mol×K [727.95; 943.42] Show Hide
Cp,gas 535.77 J/mol×K 727.95 Joback Calculated Property
Cp,gas 548.83 J/mol×K 763.86 Joback Calculated Property
Cp,gas 560.90 J/mol×K 799.77 Joback Calculated Property
Cp,gas 572.01 J/mol×K 835.69 Joback Calculated Property
Cp,gas 582.17 J/mol×K 871.60 Joback Calculated Property
Cp,gas 591.43 J/mol×K 907.51 Joback Calculated Property
Cp,gas 599.81 J/mol×K 943.42 Joback Calculated Property

Similar Compounds

D-Alanine, N-(2-chlorobenzoyl)-, butyl ester. D-Alanine, N-(2-chlorobenzoyl)-, ethyl ester. D-Alanine, N-(2-chlorobenzoyl)-, pentyl ester. D-Alanine, N-(2-chlorobenzoyl)-, heptyl ester. D-Alanine, N-(2-chlorobenzoyl)-, nonyl ester. D-Alanine, N-(2-chlorobenzoyl)-, dodecyl ester. D-Alanine, N-(2-chlorobenzoyl)-, octyl ester. D-Alanine, N-(2-chlorobenzoyl)-, tridecyl ester. D-Alanine, N-(2-chlorobenzoyl)-, decyl ester. D-Alanine, N-(2-chlorobenzoyl)-, hexyl ester. D-Alanine, N-(2-chlorobenzoyl)-, tetradecyl ester. D-Alanine, N-(2-chlorobenzoyl)-, heptadecyl ester. D-Alanine, N-(2-chlorobenzoyl)-, hexadecyl ester. D-Alanine, N-(2-chlorobenzoyl)-, pentadecyl ester. D-Alanine, N-(2-chlorobenzoyl)-, undecyl ester.

Find more compounds similar to D-Alanine, N-(2-chlorobenzoyl)-, propyl ester.

Sources

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