Chemical Properties of 1,1,1,5,5,6,6,6-Octafluoro-2,4-hexanedione

1,1,1,5,5,6,6,6-Octafluoro-2,4-hexanedione

InChI
InChI=1S/C6H2F8O2/c7-4(8,6(12,13)14)2(15)1-3(16)5(9,10)11/h1H2
InChI Key
MGKBKOFWQWACLM-UHFFFAOYSA-N
Formula
C6H2F8O2
SMILES
O=C(CC(=O)C(F)(F)C(F)(F)F)C(F)(F)F
Molecular Weight1
258.06
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Physical Properties

Property Value Unit Source
ω 0.3793 Relay (1.0) Calculated Property
ΔfH°gas -2046.45 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 16.89 kJ/mol Joback Calculated Property
ΔvapH° 39.74 kJ/mol Relay (1.0) Calculated Property
IE 10.71 eV Relay (1.0) Calculated Property
logPoct/wat 2.275 Crippen Calculated Property
McVol 112.700 ml/mol McGowan Calculated Property
Pc 2574.11 kPa Joback Calculated Property
Tboil 349.50 K Relay (1.0) Calculated Property
Tc 495.44 K Relay (1.0) Calculated Property
Vc 0.410 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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 [195.82; 367.88] 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 A-1.25390e+01
Coefficient B9.89600e-01
Coefficient C-9.11800e-04
Coefficient D3.02620e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 195.82 J/mol×K 273.00 Calculated Property
Cp,gas 236.84 J/mol×K 353.78 Calculated Property
Cp,gas 270.15 J/mol×K 434.56 Calculated Property
Cp,gas 296.71 J/mol×K 515.33 Calculated Property
Cp,gas 317.47 J/mol×K 596.11 Calculated Property
Cp,gas 333.40 J/mol×K 676.89 Calculated Property
Cp,gas 345.44 J/mol×K 757.67 Calculated Property
Cp,gas 354.57 J/mol×K 838.44 Calculated Property
Cp,gas 361.73 J/mol×K 919.22 Calculated Property
Cp,gas 367.88 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,1,1,5,5,6,6,7,7,7-Decafluoro-2,4-heptanedione. Methyl pentafluoropropionylacetate. 3,5-Octanedione, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-. 2,4-PENTANEDIONE, 1,1,1,5,5,5-HEXAFLUORO-. Ethyl pentafluoropropionylacetate. 2,4-Pentanedione, 1,1,1-trifluoro-. 2,4-Hexanedione, 1,1,1-trifluoro-5,5-dimethyl-. Ethyl heptafluorobutanoylacetate. 1-Chloro-1,1-difluoroacetylacetone. 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid. 3-HEPTAFLUOROBUTYRYL-(+)-CAMPHOR. 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid, methyl ester. 1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-. 2-Octen-4-one, 5,5,6,6,7,7,8,8-octafluoro-2-mercapto-. ETHYL 4,4,4-TRIFLUOROACETOACETATE.

Find more compounds similar to 1,1,1,5,5,6,6,6-Octafluoro-2,4-hexanedione.

Sources

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