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

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

InChI
InChI=1S/C13H15ClFNO3/c1-3-7-19-13(18)8(2)16-12(17)9-5-4-6-10(14)11(9)15/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChI Key
WLIDCKCRMJPHIE-UHFFFAOYSA-N
Formula
C13H15ClFNO3
SMILES
CCCOC(=O)C(C)NC(=O)c1cccc(Cl)c1F
Molecular Weight1
287.71
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Physical Properties

Property Value Unit Source
ΔfusH° 37.51 kJ/mol Joback Calculated Property
log10WS -3.99 Relay (1.0) Calculated Property
logPoct/wat 2.551 Crippen Calculated Property
McVol 203.270 ml/mol McGowan Calculated Property
Pc 2147.32 kPa Joback Calculated Property
Inp [2026.00; 2026.00]   Show Hide
Inp 2026.00 NIST
Inp 2026.00 NIST
Tboil 585.60 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 [542.41; 603.39] J/mol×K [732.20; 940.38] Show Hide
Cp,gas 542.41 J/mol×K 732.20 Joback Calculated Property
Cp,gas 554.78 J/mol×K 766.90 Joback Calculated Property
Cp,gas 566.24 J/mol×K 801.59 Joback Calculated Property
Cp,gas 576.81 J/mol×K 836.29 Joback Calculated Property
Cp,gas 586.52 J/mol×K 870.98 Joback Calculated Property
Cp,gas 595.37 J/mol×K 905.68 Joback Calculated Property
Cp,gas 603.39 J/mol×K 940.38 Joback Calculated Property

Similar Compounds

D-alanine, n-(3-chloro-2-fluorobenzoyl)-, butyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, ethyl 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)-, propyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, butyl ester. D-alanine, n-(2,4-difluorobenzoyl)-, pentyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, propyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, pentyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, decyl ester.

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

Sources

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