Chemical Properties of D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, ethyl ester

D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, ethyl ester

InChI
InChI=1S/C12H13ClFNO3/c1-3-18-12(17)7(2)15-11(16)8-5-4-6-9(13)10(8)14/h4-7H,3H2,1-2H3,(H,15,16)
InChI Key
OBRHTKOAKPUZBJ-UHFFFAOYSA-N
Formula
C12H13ClFNO3
SMILES
CCOC(=O)C(C)NC(=O)c1cccc(Cl)c1F
Molecular Weight1
273.69
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Physical Properties

Property Value Unit Source
ΔfusH° 34.92 kJ/mol Joback Calculated Property
logPoct/wat 2.160 Crippen Calculated Property
McVol 189.180 ml/mol McGowan Calculated Property
Inp [1927.00; 1927.00]   Show Hide
Inp 1927.00 NIST
Inp 1927.00 NIST
Tboil 575.14 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [262.63; 563.71] 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 A3.55310e+01
Coefficient B9.63840e-01
Coefficient C-5.01420e-04
Coefficient D6.57600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 262.63 J/mol×K 273.00 Calculated Property
Cp,gas 316.67 J/mol×K 353.78 Calculated Property
Cp,gas 365.08 J/mol×K 434.56 Calculated Property
Cp,gas 408.07 J/mol×K 515.33 Calculated Property
Cp,gas 445.84 J/mol×K 596.11 Calculated Property
Cp,gas 478.60 J/mol×K 676.89 Calculated Property
Cp,gas 506.56 J/mol×K 757.67 Calculated Property
Cp,gas 529.92 J/mol×K 838.44 Calculated Property
Cp,gas 548.91 J/mol×K 919.22 Calculated Property
Cp,gas 563.71 J/mol×K 1000.00 Calculated Property

Similar Compounds

D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, propyl ester. D-alanine, n-(3-chloro-2-fluorobenzoyl)-, butyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, isobutyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, pentyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, hexyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, hexadecyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, octadecyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, isohexyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, ethyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, ethyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, propyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, butyl ester. D-alanine, n-(2,4-difluorobenzoyl)-, pentyl ester. D-Alanine, N-(2-chlorobenzoyl)-, ethyl ester.

Find more compounds similar to D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, ethyl ester.

Sources

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