Chemical Properties of Sebacic acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

Sebacic acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester

InChI
InChI=1S/C33H56F8O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-44-28(42)24-21-18-15-16-19-22-25-29(43)45-27-31(36,37)33(40,41)32(38,39)30(34)35/h30H,2-27H2,1H3
InChI Key
VKLCKQUBDVRKLR-UHFFFAOYSA-N
Formula
C33H56F8O4
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F
Molecular Weight1
668.78
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Physical Properties

Property Value Unit Source
ΔfH°gas -2873.21 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 88.84 kJ/mol Joback Calculated Property
ΔvapH° 149.30 kJ/mol Relay (1.0) Calculated Property
log10WS -10.42 Relay (1.0) Calculated Property
logPoct/wat 11.626 Crippen Calculated Property
McVol 504.870 ml/mol McGowan Calculated Property
Pc 458.33 kPa Joback Calculated Property
Inp 3392.00 NIST
Tboil 707.70 K Relay (1.0) Calculated Property
Tc 835.46 K Relay (1.0) Calculated Property
Tfus 328.58 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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 [799.11; 1799.56] 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 A-2.66400e+00
Coefficient B3.50692e+00
Coefficient C-2.23200e-03
Coefficient D5.27300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 799.11 J/mol×K 273.00 Calculated Property
Cp,gas 982.00 J/mol×K 353.78 Calculated Property
Cp,gas 1143.07 J/mol×K 434.56 Calculated Property
Cp,gas 1283.98 J/mol×K 515.33 Calculated Property
Cp,gas 1406.41 J/mol×K 596.11 Calculated Property
Cp,gas 1512.01 J/mol×K 676.89 Calculated Property
Cp,gas 1602.46 J/mol×K 757.67 Calculated Property
Cp,gas 1679.42 J/mol×K 838.44 Calculated Property
Cp,gas 1744.56 J/mol×K 919.22 Calculated Property
Cp,gas 1799.56 J/mol×K 1000.00 Calculated Property

Similar Compounds

Sebacic acid, hexyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, heptyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl undecyl ester. Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl octyl ester. Sebacic acid, dodecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentadecyl ester. Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tridecyl ester. Sebacic acid, hexadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, heptadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl tetradecyl ester. Sebacic acid, 2,2,3,3,4,4,5,5-octafluoropentyl pentyl ester. Adipic acid, nonyl 2,2,3,3,4,4,5,5-octafluoropentyl ester. Adipic acid, decyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Find more compounds similar to Sebacic acid, octadecyl 2,2,3,3,4,4,5,5-octafluoropentyl ester.

Sources

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