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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1361.56; 1436.81] J/mol×K [1052.52; 1296.18] Show Hide
Cp,gas 1361.56 J/mol×K 1052.52 Joback Calculated Property
Cp,gas 1378.04 J/mol×K 1093.13 Joback Calculated Property
Cp,gas 1392.81 J/mol×K 1133.74 Joback Calculated Property
Cp,gas 1405.97 J/mol×K 1174.35 Joback Calculated Property
Cp,gas 1417.63 J/mol×K 1214.96 Joback Calculated Property
Cp,gas 1427.87 J/mol×K 1255.57 Joback Calculated Property
Cp,gas 1436.81 J/mol×K 1296.18 Joback 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)-, 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)-, heptadecyl ester.

Sources

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