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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [347.48; 770.07] 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 A3.18950e+01
Coefficient B1.34384e+00
Coefficient C-7.19020e-04
Coefficient D1.13360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 347.48 J/mol×K 273.00 Calculated Property
Cp,gas 422.34 J/mol×K 353.78 Calculated Property
Cp,gas 489.39 J/mol×K 434.56 Calculated Property
Cp,gas 548.99 J/mol×K 515.33 Calculated Property
Cp,gas 601.48 J/mol×K 596.11 Calculated Property
Cp,gas 647.24 J/mol×K 676.89 Calculated Property
Cp,gas 686.62 J/mol×K 757.67 Calculated Property
Cp,gas 719.98 J/mol×K 838.44 Calculated Property
Cp,gas 747.68 J/mol×K 919.22 Calculated Property
Cp,gas 770.07 J/mol×K 1000.00 Calculated Property

Similar Compounds

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)-, hexadecyl 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)-, undecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, tetradecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, decyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, hexadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, pentadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, nonadecyl ester.

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

Sources

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