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

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

InChI
InChI=1S/C27H43ClFNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-33-27(32)22(2)30-26(31)23-19-18-20-24(28)25(23)29/h18-20,22H,3-17,21H2,1-2H3,(H,30,31)
InChI Key
SJGGQYJKHJDRDW-UHFFFAOYSA-N
Formula
C27H43ClFNO3
SMILES
CCCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(Cl)c1F
Molecular Weight1
484.09
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Physical Properties

Property Value Unit Source
ΔfusH° 73.77 kJ/mol Joback Calculated Property
log10WS -8.20 Relay (1.0) Calculated Property
logPoct/wat 8.012 Crippen Calculated Property
McVol 400.530 ml/mol McGowan Calculated Property
Pc 815.39 kPa Joback Calculated Property
Inp 3348.00 NIST
Tboil 683.73 K Relay (1.0) Calculated Property
Tfus 357.03 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 [580.83; 1337.58] 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 A2.18960e+01
Coefficient B2.38884e+00
Coefficient C-1.31742e-03
Coefficient D2.44260e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 580.83 J/mol×K 273.00 Calculated Property
Cp,gas 712.94 J/mol×K 353.78 Calculated Property
Cp,gas 831.24 J/mol×K 434.56 Calculated Property
Cp,gas 936.51 J/mol×K 515.33 Calculated Property
Cp,gas 1029.51 J/mol×K 596.11 Calculated Property
Cp,gas 1111.02 J/mol×K 676.89 Calculated Property
Cp,gas 1181.80 J/mol×K 757.67 Calculated Property
Cp,gas 1242.64 J/mol×K 838.44 Calculated Property
Cp,gas 1294.31 J/mol×K 919.22 Calculated Property
Cp,gas 1337.58 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)-, 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)-, heptadecyl ester.

Sources

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