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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1424.20; 1500.38] J/mol×K [1075.40; 1329.22] Show Hide
Cp,gas 1424.20 J/mol×K 1075.40 Joback Calculated Property
Cp,gas 1441.10 J/mol×K 1117.70 Joback Calculated Property
Cp,gas 1456.16 J/mol×K 1160.01 Joback Calculated Property
Cp,gas 1469.51 J/mol×K 1202.31 Joback Calculated Property
Cp,gas 1481.25 J/mol×K 1244.61 Joback Calculated Property
Cp,gas 1491.50 J/mol×K 1286.92 Joback Calculated Property
Cp,gas 1500.38 J/mol×K 1329.22 Joback Calculated Property

Similar Compounds

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

Sources

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