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

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

InChI
InChI=1S/C28H45ClFNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34-28(33)23(2)31-27(32)24-20-19-21-25(29)26(24)30/h19-21,23H,3-18,22H2,1-2H3,(H,31,32)
InChI Key
GAIRTYDLSHPJBM-UHFFFAOYSA-N
Formula
C28H45ClFNO3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(Cl)c1F
Molecular Weight1
498.11
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Physical Properties

Property Value Unit Source
ΔfusH° 76.36 kJ/mol Joback Calculated Property
log10WS -8.47 Relay (1.0) Calculated Property
logPoct/wat 8.402 Crippen Calculated Property
McVol 414.620 ml/mol McGowan Calculated Property
Pc 772.46 kPa Joback Calculated Property
Inp 3566.00 NIST
Tboil 690.30 K Relay (1.0) Calculated Property
Tfus 358.41 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 [602.05; 1389.17] 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 A2.09870e+01
Coefficient B2.48384e+00
Coefficient C-1.37182e-03
Coefficient D2.56160e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 602.05 J/mol×K 273.00 Calculated Property
Cp,gas 739.36 J/mol×K 353.78 Calculated Property
Cp,gas 862.32 J/mol×K 434.56 Calculated Property
Cp,gas 971.74 J/mol×K 515.33 Calculated Property
Cp,gas 1068.42 J/mol×K 596.11 Calculated Property
Cp,gas 1153.18 J/mol×K 676.89 Calculated Property
Cp,gas 1226.82 J/mol×K 757.67 Calculated Property
Cp,gas 1290.16 J/mol×K 838.44 Calculated Property
Cp,gas 1344.01 J/mol×K 919.22 Calculated Property
Cp,gas 1389.17 J/mol×K 1000.00 Calculated Property

Similar Compounds

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)-, 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)-, octadecyl ester.

Sources

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