Chemical Properties of Sarcosine, N-(2,3,4-trifluorobenzoyl)-, heptadecyl ester

Sarcosine, N-(2,3,4-trifluorobenzoyl)-, heptadecyl ester

InChI
InChI=1S/C27H42F3NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-24(32)21-31(2)27(33)22-18-19-23(28)26(30)25(22)29/h18-19H,3-17,20-21H2,1-2H3
InChI Key
LHCIXFJJELZQPE-UHFFFAOYSA-N
Formula
C27H42F3NO3
SMILES
CCCCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(F)c(F)c1F
Molecular Weight1
485.62
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Physical Properties

Property Value Unit Source
ΔfusH° 76.79 kJ/mol Joback Calculated Property
ΔvapH° 132.94 kJ/mol Relay (1.0) Calculated Property
log10WS -8.09 Relay (1.0) Calculated Property
logPoct/wat 7.591 Crippen Calculated Property
McVol 391.830 ml/mol McGowan Calculated Property
Pc 774.61 kPa Joback Calculated Property
Tboil 684.46 K Relay (1.0) Calculated Property
Tfus 324.72 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [586.01; 1341.01] 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 A2.76870e+01
Coefficient B2.38794e+00
Coefficient C-1.32358e-03
Coefficient D2.48960e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 586.01 J/mol×K 273.00 Calculated Property
Cp,gas 717.85 J/mol×K 353.78 Calculated Property
Cp,gas 835.87 J/mol×K 434.56 Calculated Property
Cp,gas 940.84 J/mol×K 515.33 Calculated Property
Cp,gas 1033.57 J/mol×K 596.11 Calculated Property
Cp,gas 1114.83 J/mol×K 676.89 Calculated Property
Cp,gas 1185.42 J/mol×K 757.67 Calculated Property
Cp,gas 1246.12 J/mol×K 838.44 Calculated Property
Cp,gas 1297.72 J/mol×K 919.22 Calculated Property
Cp,gas 1341.01 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sarcosine, N-(2,3,4-trifluorobenzoyl)-, dodecyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, octyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, decyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, undecyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, nonyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, pentadecyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, tetradecyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, hexadecyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, heptyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, pentyl ester. Sarcosine, N-(2,3,4-trifluorobenzoyl)-, isohexyl ester. Sarcosine, N-(2-fluorobenzoyl)-, octyl ester. Sarcosine, N-(2-fluorobenzoyl)-, pentadecyl ester. Sarcosine, N-(2-fluorobenzoyl)-, undecyl ester. Sarcosine, N-(2-fluorobenzoyl)-, tetradecyl ester.

Find more compounds similar to Sarcosine, N-(2,3,4-trifluorobenzoyl)-, heptadecyl ester.

Sources

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