Chemical Properties of Acetic acid, 2,2,3,4,4,4-hexafluorobutyl ester

Acetic acid, 2,2,3,4,4,4-hexafluorobutyl ester

InChI
InChI=1S/C6H6F6O2/c1-3(13)14-2-5(8,9)4(7)6(10,11)12/h4H,2H2,1H3
InChI Key
HBRIAAIICOEFEL-UHFFFAOYSA-N
Formula
C6H6F6O2
SMILES
CC(=O)OCC(F)(F)C(F)C(F)(F)F
Molecular Weight1
224.10
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Physical Properties

Property Value Unit Source
ΔfusH° 15.79 kJ/mol Joback Calculated Property
log10WS -2.28 Relay (1.0) Calculated Property
logPoct/wat 2.085 Crippen Calculated Property
McVol 113.460 ml/mol McGowan Calculated Property
Inp [721.00; 721.00]   Show Hide
Inp 721.00 NIST
Inp 721.00 NIST
Tboil 388.36 K Relay (1.0) Calculated Property
Tfus 212.52 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [195.06; 382.88] 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 A8.76100e+00
Coefficient B8.47320e-01
Coefficient C-6.53200e-04
Coefficient D1.80000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 195.06 J/mol×K 273.00 Calculated Property
Cp,gas 234.74 J/mol×K 353.78 Calculated Property
Cp,gas 268.39 J/mol×K 434.56 Calculated Property
Cp,gas 296.58 J/mol×K 515.33 Calculated Property
Cp,gas 319.87 J/mol×K 596.11 Calculated Property
Cp,gas 338.84 J/mol×K 676.89 Calculated Property
Cp,gas 354.06 J/mol×K 757.67 Calculated Property
Cp,gas 366.09 J/mol×K 838.44 Calculated Property
Cp,gas 375.51 J/mol×K 919.22 Calculated Property
Cp,gas 382.88 J/mol×K 1000.00 Calculated Property

Similar Compounds

Succinic acid, di(2,2,3,4,4,4-hexafluorobutyl) ester. Succinic acid, 2,2,3,3-tetrafluoropropyl 2,2,3,4,4,4-hexafluorobutyl ester. Glutaric acid, di(2,2,3,4,4,4-hexafluorobutyl) ester. Dimethylmalonic acid, di(2,2,3,4,4,4-hexafluorobutyl) ester. Succinic acid, 3-methylbut-2-en-1-yl 2,2,3,4,4,4-hexafluorobutyl ester. Succinic acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,4,4,4-hexafluorobutyl ester. Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl isobutyl ester. Glutaric acid, 2,2-dichloroethyl 2,2,3,4,4,4-hexafluorobutyl ester. Dimethylmalonic acid, butyl 2,2,3,4,4,4-hexafluorobutyl ester. Glutaric acid, 3-methylbut-2-en-1-yl 2,2,3,4,4,4-hexafluorobutyl ester. Succinic acid, tridec-2-yn-1-yl 2,2,3,4,4,4-hexafluorobutyl ester. Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,4,4,4-hexafluorobutyl ester. Succinic acid, 3-methylbut-2-yl 2,2,3,4,4,4-hexafluorobutyl ester. Heptafluorobutyl acrylate. Succinic acid, 8-chlorooctyl 2,2,3,4,4,4-hexafluorobutyl ester.

Find more compounds similar to Acetic acid, 2,2,3,4,4,4-hexafluorobutyl ester.

Sources

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