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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [273.09; 611.27] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.42320e+01
Coefficient B1.10654e+00
Coefficient C-6.06460e-04
Coefficient D9.69600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 273.09 J/mol×K 273.00 Calculated Property
Cp,gas 334.09 J/mol×K 353.78 Calculated Property
Cp,gas 388.52 J/mol×K 434.56 Calculated Property
Cp,gas 436.68 J/mol×K 515.33 Calculated Property
Cp,gas 478.89 J/mol×K 596.11 Calculated Property
Cp,gas 515.44 J/mol×K 676.89 Calculated Property
Cp,gas 546.65 J/mol×K 757.67 Calculated Property
Cp,gas 572.82 J/mol×K 838.44 Calculated Property
Cp,gas 594.26 J/mol×K 919.22 Calculated Property
Cp,gas 611.27 J/mol×K 1000.00 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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