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

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

InChI
InChI=1S/C26H41ClFNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32-26(31)21(2)29-25(30)22-18-17-19-23(27)24(22)28/h17-19,21H,3-16,20H2,1-2H3,(H,29,30)
InChI Key
OGYBAKOGYAIDRE-UHFFFAOYSA-N
Formula
C26H41ClFNO3
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cccc(Cl)c1F
Molecular Weight1
470.06
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Physical Properties

Property Value Unit Source
ΔfusH° 71.18 kJ/mol Joback Calculated Property
log10WS -7.92 Relay (1.0) Calculated Property
logPoct/wat 7.622 Crippen Calculated Property
McVol 386.440 ml/mol McGowan Calculated Property
Pc 862.01 kPa Joback Calculated Property
Inp 3348.00 NIST
Tboil 677.07 K Relay (1.0) Calculated Property
Tfus 355.62 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1299.27; 1373.65] J/mol×K [1029.64; 1264.49] Show Hide
Cp,gas 1299.27 J/mol×K 1029.64 Joback Calculated Property
Cp,gas 1315.36 J/mol×K 1068.78 Joback Calculated Property
Cp,gas 1329.86 J/mol×K 1107.92 Joback Calculated Property
Cp,gas 1342.85 J/mol×K 1147.06 Joback Calculated Property
Cp,gas 1354.43 J/mol×K 1186.20 Joback Calculated Property
Cp,gas 1364.66 J/mol×K 1225.34 Joback Calculated Property
Cp,gas 1373.65 J/mol×K 1264.49 Joback 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)-, 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)-, decyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, pentadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, undecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, heptadecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, tetradecyl ester. L-Valine, N-(3-chloro-2-fluorobenzoyl)-, hexadecyl ester. D-alanine, n-(2,4-difluorobenzoyl)-, eicosyl ester.

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

Sources

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