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

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

InChI
InChI=1S/C14H17ClFNO3/c1-8(2)7-20-14(19)9(3)17-13(18)10-5-4-6-11(15)12(10)16/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChI Key
FAQBVVBBADVRJR-UHFFFAOYSA-N
Formula
C14H17ClFNO3
SMILES
CC(C)COC(=O)C(C)NC(=O)c1cccc(Cl)c1F
Molecular Weight1
301.74
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Physical Properties

Property Value Unit Source
ΔfusH° 36.58 kJ/mol Joback Calculated Property
log10WS -4.26 Relay (1.0) Calculated Property
logPoct/wat 2.797 Crippen Calculated Property
McVol 217.360 ml/mol McGowan Calculated Property
Inp [2078.00; 2078.00]   Show Hide
Inp 2078.00 NIST
Inp 2078.00 NIST
Tboil 590.44 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [304.74; 667.43] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A3.20310e+01
Coefficient B1.15976e+00
Coefficient C-6.13420e-04
Coefficient D8.90600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 304.74 J/mol×K 273.00 Calculated Property
Cp,gas 369.50 J/mol×K 353.78 Calculated Property
Cp,gas 427.48 J/mol×K 434.56 Calculated Property
Cp,gas 478.98 J/mol×K 515.33 Calculated Property
Cp,gas 524.26 J/mol×K 596.11 Calculated Property
Cp,gas 563.62 J/mol×K 676.89 Calculated Property
Cp,gas 597.34 J/mol×K 757.67 Calculated Property
Cp,gas 625.69 J/mol×K 838.44 Calculated Property
Cp,gas 648.96 J/mol×K 919.22 Calculated Property
Cp,gas 667.43 J/mol×K 1000.00 Calculated Property

Similar Compounds

D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, propyl ester. 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)-, heptadecyl ester. 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)-, octadecyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, pentyl ester. D-Alanine, N-(3-chloro-2-fluorobenzoyl)-, isohexyl ester. D-alanine, n-(2-fluoro-3-trifluoromethylbenzoyl)-, isobutyl 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)-, hexadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, decyl ester.

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

Sources

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