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

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

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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
329.79
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Physical Properties

Property Value Unit Source
Δf -308.08 kJ/mol Joback Calculated Property
Δfgas -686.30 kJ/mol Joback Calculated Property
Δfus 40.17 kJ/mol Joback Calculated Property
Δvap 79.94 kJ/mol Joback Calculated Property
log10WS -4.91 Crippen Calculated Property
logPoct/wat 3.577 Crippen Calculated Property
McVol 245.540 ml/mol McGowan Calculated Property
Pc 1740.46 kPa Joback Calculated Property
Inp 2270.00 NIST
Tboil 818.27 K Joback Calculated Property
Tc 1026.17 K Joback Calculated Property
Tfus 496.80 K Joback Calculated Property
Vc 0.944 m3/kmol Joback Calculated Property

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)-, hexadecyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, octadecyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl 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)-, hexadecyl 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)-, decyl ester.

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

Sources

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