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

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

InChI
InChI=1S/C15H19ClFNO3/c1-3-4-5-9-21-15(20)10(2)18-14(19)11-7-6-8-12(16)13(11)17/h6-8,10H,3-5,9H2,1-2H3,(H,18,19)
InChI Key
YKUICNAPNCVSIH-UHFFFAOYSA-N
Formula
C15H19ClFNO3
SMILES
CCCCCOC(=O)C(C)NC(=O)c1cccc(Cl)c1F
Molecular Weight1
315.77
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Physical Properties

Property Value Unit Source
ΔfusH° 42.69 kJ/mol Joback Calculated Property
log10WS -4.64 Relay (1.0) Calculated Property
logPoct/wat 3.331 Crippen Calculated Property
McVol 231.450 ml/mol McGowan Calculated Property
Pc 1810.77 kPa Joback Calculated Property
Inp [2213.00; 2213.00]   Show Hide
Inp 2213.00 NIST
Inp 2213.00 NIST
Tfus 340.05 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 [649.88; 714.41] J/mol×K [777.96; 982.31] Show Hide
Cp,gas 649.88 J/mol×K 777.96 Joback Calculated Property
Cp,gas 662.98 J/mol×K 812.02 Joback Calculated Property
Cp,gas 675.10 J/mol×K 846.08 Joback Calculated Property
Cp,gas 686.29 J/mol×K 880.14 Joback Calculated Property
Cp,gas 696.55 J/mol×K 914.19 Joback Calculated Property
Cp,gas 705.92 J/mol×K 948.25 Joback Calculated Property
Cp,gas 714.41 J/mol×K 982.31 Joback Calculated Property

Similar Compounds

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

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

Sources

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