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

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

InChI
InChI=1S/C16H21ClFNO3/c1-3-4-5-6-10-22-16(21)11(2)19-15(20)12-8-7-9-13(17)14(12)18/h7-9,11H,3-6,10H2,1-2H3,(H,19,20)
InChI Key
LJOKYNXLEWIOSS-UHFFFAOYSA-N
Formula
C16H21ClFNO3
SMILES
CCCCCCOC(=O)C(C)NC(=O)c1cccc(Cl)c1F
Molecular Weight1
329.79
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Physical Properties

Property Value Unit Source
ΔfusH° 45.28 kJ/mol Joback Calculated Property
log10WS -4.99 Relay (1.0) Calculated Property
logPoct/wat 3.721 Crippen Calculated Property
McVol 245.540 ml/mol McGowan Calculated Property
Pc 1671.43 kPa Joback Calculated Property
Inp 2319.00 NIST
Tboil 607.24 K Relay (1.0) Calculated Property
Tfus 339.50 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [705.18; 771.08] J/mol×K [800.84; 1004.10] Show Hide
Cp,gas 705.18 J/mol×K 800.84 Joback Calculated Property
Cp,gas 718.57 J/mol×K 834.72 Joback Calculated Property
Cp,gas 730.96 J/mol×K 868.59 Joback Calculated Property
Cp,gas 742.38 J/mol×K 902.47 Joback Calculated Property
Cp,gas 752.86 J/mol×K 936.35 Joback Calculated Property
Cp,gas 762.41 J/mol×K 970.22 Joback Calculated Property
Cp,gas 771.08 J/mol×K 1004.10 Joback Calculated Property

Similar Compounds

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

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

Sources

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