Chemical Properties of D-Alanine, N-(2,5-difluorobenzoyl)-, tridecyl ester

D-Alanine, N-(2,5-difluorobenzoyl)-, tridecyl ester

InChI
InChI=1S/C23H35F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-29-23(28)18(2)26-22(27)20-17-19(24)14-15-21(20)25/h14-15,17-18H,3-13,16H2,1-2H3,(H,26,27)
InChI Key
HANUNBRHPPYHGS-UHFFFAOYSA-N
Formula
C23H35F2NO3
SMILES
CCCCCCCCCCCCCOC(=O)C(C)NC(=O)c1cc(F)ccc1F
Molecular Weight1
411.53
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Physical Properties

Property Value Unit Source
ΔfusH° 62.29 kJ/mol Joback Calculated Property
log10WS -6.82 Relay (1.0) Calculated Property
logPoct/wat 5.937 Crippen Calculated Property
McVol 333.700 ml/mol McGowan Calculated Property
Pc 1023.34 kPa Joback Calculated Property
Inp [2796.00; 2796.00]   Show Hide
Inp 2796.00 NIST
Inp 2796.00 NIST
Tboil 648.43 K Relay (1.0) Calculated Property
Tfus 351.00 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 [1095.83; 1173.93] J/mol×K [922.84; 1129.86] Show Hide
Cp,gas 1095.83 J/mol×K 922.84 Joback Calculated Property
Cp,gas 1111.91 J/mol×K 957.34 Joback Calculated Property
Cp,gas 1126.70 J/mol×K 991.85 Joback Calculated Property
Cp,gas 1140.25 J/mol×K 1026.35 Joback Calculated Property
Cp,gas 1152.61 J/mol×K 1060.85 Joback Calculated Property
Cp,gas 1163.82 J/mol×K 1095.36 Joback Calculated Property
Cp,gas 1173.93 J/mol×K 1129.86 Joback Calculated Property

Similar Compounds

D-Alanine, N-(2,5-difluorobenzoyl)-, dodecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, tetradecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, octadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, decyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, eicosyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, pentadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, nonadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, undecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, hexadecyl ester. D-Alanine, N-(2,5-difluorobenzoyl)-, pentyl ester. D-alanine, n-(2,4-difluorobenzoyl)-, eicosyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, heptadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, octadecyl ester. D-Alanine, N-(2,4-difluorobenzoyl)-, nonadecyl ester.

Find more compounds similar to D-Alanine, N-(2,5-difluorobenzoyl)-, tridecyl ester.

Sources

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