Chemical Properties of D-Alanine, N-(3,4-difluorobenzoyl)-, dodecyl ester

D-Alanine, N-(3,4-difluorobenzoyl)-, dodecyl ester

InChI
InChI=1S/C22H33F2NO3/c1-3-4-5-6-7-8-9-10-11-12-15-28-22(27)17(2)25-21(26)18-13-14-19(23)20(24)16-18/h13-14,16-17H,3-12,15H2,1-2H3,(H,25,26)
InChI Key
DAEROLPNHMIWIR-UHFFFAOYSA-N
Formula
C22H33F2NO3
SMILES
CCCCCCCCCCCCOC(=O)C(C)NC(=O)c1ccc(F)c(F)c1
Molecular Weight1
397.50
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Physical Properties

Property Value Unit Source
ΔfusH° 59.70 kJ/mol Joback Calculated Property
log10WS -6.56 Relay (1.0) Calculated Property
logPoct/wat 5.547 Crippen Calculated Property
McVol 319.610 ml/mol McGowan Calculated Property
Pc 1089.22 kPa Joback Calculated Property
Inp [2730.00; 2730.00]   Show Hide
Inp 2730.00 NIST
Inp 2730.00 NIST
Tboil 641.42 K Relay (1.0) Calculated Property
Tfus 336.10 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 [1035.24; 1112.39] J/mol×K [899.96; 1102.63] Show Hide
Cp,gas 1035.24 J/mol×K 899.96 Joback Calculated Property
Cp,gas 1051.00 J/mol×K 933.74 Joback Calculated Property
Cp,gas 1065.54 J/mol×K 967.52 Joback Calculated Property
Cp,gas 1078.91 J/mol×K 1001.29 Joback Calculated Property
Cp,gas 1091.15 J/mol×K 1035.07 Joback Calculated Property
Cp,gas 1102.29 J/mol×K 1068.85 Joback Calculated Property
Cp,gas 1112.39 J/mol×K 1102.63 Joback Calculated Property

Similar Compounds

D-Alanine, N-(3,4-difluorobenzoyl)-, octadecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, pentadecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, hexadecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, eicosyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, nonyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, tridecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, octyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, hexyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, undecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, tetradecyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, decyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, pentyl ester. D-Alanine, N-(3,4-difluorobenzoyl)-, butyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, nonadecyl ester.

Find more compounds similar to D-Alanine, N-(3,4-difluorobenzoyl)-, dodecyl ester.

Sources

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