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

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

InChI
InChI=1S/C16H21ClFNO3/c1-10(2)6-5-9-22-16(21)11(3)19-15(20)12-7-4-8-13(17)14(12)18/h4,7-8,10-11H,5-6,9H2,1-3H3,(H,19,20)
InChI Key
ZJKYSVPGRXJVMS-UHFFFAOYSA-N
Formula
C16H21ClFNO3
SMILES
CC(C)CCCOC(=O)C(C)NC(=O)c1cccc(Cl)c1F
Molecular Weight1
329.80
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Physical Properties

Property Value Unit Source
ΔfusH° 40.17 kJ/mol Joback Calculated Property
log10WS -4.90 Relay (1.0) Calculated Property
logPoct/wat 3.577 Crippen Calculated Property
McVol 245.540 ml/mol McGowan Calculated Property
Inp 2270.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 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 [710.42; 776.51] J/mol×K [818.27; 1026.17] Show Hide
Cp,gas 710.42 J/mol×K 818.27 Joback Calculated Property
Cp,gas 723.84 J/mol×K 852.92 Joback Calculated Property
Cp,gas 736.26 J/mol×K 887.57 Joback Calculated Property
Cp,gas 747.72 J/mol×K 922.22 Joback Calculated Property
Cp,gas 758.22 J/mol×K 956.87 Joback Calculated Property
Cp,gas 767.81 J/mol×K 991.52 Joback Calculated Property
Cp,gas 776.51 J/mol×K 1026.17 Joback Calculated Property

Similar Compounds

D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, pentyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, hexyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, octadecyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, hexadecyl ester. D-alanine, n-(3-chloro-2-fluorobenzoyl)-, butyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, isobutyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, isohexyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, propyl ester. D-Alanine, N-(2-fluoro-5-trifluoromethylbenzoyl)-, isohexyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, pentadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, tetradecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, undecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, decyl ester.

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

Sources

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