Chemical Properties of D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, dodecyl ester

D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, dodecyl ester

InChI
InChI=1S/C23H33F4NO3/c1-3-4-5-6-7-8-9-10-11-12-16-31-22(30)17(2)28-21(29)20-18(23(25,26)27)14-13-15-19(20)24/h13-15,17H,3-12,16H2,1-2H3,(H,28,29)
InChI Key
FBRQBGHRSPPPPO-UHFFFAOYSA-N
Formula
C23H33F4NO3
SMILES
CCCCCCCCCCCCOC(=O)C(C)NC(=O)c1c(F)cccc1C(F)(F)F
Molecular Weight1
447.51
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Physical Properties

Property Value Unit Source
ΔfusH° 61.04 kJ/mol Joback Calculated Property
logPoct/wat 6.427 Crippen Calculated Property
McVol 337.240 ml/mol McGowan Calculated Property
Inp [2707.00; 2707.00]   Show Hide
Inp 2707.00 NIST
Inp 2707.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [505.71; 1145.62] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A6.44100e+00
Coefficient B2.16324e+00
Coefficient C-1.30042e-03
Coefficient D2.76360e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 505.71 J/mol×K 273.00 Calculated Property
Cp,gas 621.23 J/mol×K 353.78 Calculated Property
Cp,gas 723.60 J/mol×K 434.56 Calculated Property
Cp,gas 813.70 J/mol×K 515.33 Calculated Property
Cp,gas 892.41 J/mol×K 596.11 Calculated Property
Cp,gas 960.60 J/mol×K 676.89 Calculated Property
Cp,gas 1019.14 J/mol×K 757.67 Calculated Property
Cp,gas 1068.91 J/mol×K 838.44 Calculated Property
Cp,gas 1110.78 J/mol×K 919.22 Calculated Property
Cp,gas 1145.62 J/mol×K 1000.00 Calculated Property

Similar Compounds

D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, nonadecyl ester. D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, undecyl ester. D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, decyl ester. D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, nonyl ester. D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, octadecyl ester. D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, eicosyl ester. D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, hexadecyl ester. D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, heptadecyl ester. D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, pentadecyl ester. D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, tridecyl ester. D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, tetradecyl ester. D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, isohexyl ester. D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, undecyl ester. D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, octadecyl ester. D-Alanine, N-(5-fluoro-2-trifluoromethylbenzoyl)-, nonadecyl ester.

Find more compounds similar to D-Alanine, N-(2-fluoro-6-trifluoromethylbenzoyl)-, dodecyl ester.

Sources

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