Chemical Properties of Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl isobutyl ester

Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl isobutyl ester

InChI
InChI=1S/C13H18F6O4/c1-7(2)5-22-9(20)11(3,4)10(21)23-6-12(15,16)8(14)13(17,18)19/h7-8H,5-6H2,1-4H3
InChI Key
MJRORVZCBKDAGS-UHFFFAOYSA-N
Formula
C13H18F6O4
SMILES
CC(C)COC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)C(F)(F)F
Molecular Weight1
352.27
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Physical Properties

Property Value Unit Source
ΔfH°gas -2191.97 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 27.36 kJ/mol Joback Calculated Property
ΔvapH° 64.09 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.291 Crippen Calculated Property
McVol 219.530 ml/mol McGowan Calculated Property
Inp 1225.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 [358.12; 754.13] 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 A1.65200e+00
Coefficient B1.58928e+00
Coefficient C-1.11440e-03
Coefficient D2.77600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 358.12 J/mol×K 273.00 Calculated Property
Cp,gas 436.72 J/mol×K 353.78 Calculated Property
Cp,gas 504.62 J/mol×K 434.56 Calculated Property
Cp,gas 562.70 J/mol×K 515.33 Calculated Property
Cp,gas 611.84 J/mol×K 596.11 Calculated Property
Cp,gas 652.92 J/mol×K 676.89 Calculated Property
Cp,gas 686.81 J/mol×K 757.67 Calculated Property
Cp,gas 714.39 J/mol×K 838.44 Calculated Property
Cp,gas 736.54 J/mol×K 919.22 Calculated Property
Cp,gas 754.13 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, di(2,2,3,4,4,4-hexafluorobutyl) ester. Dimethylmalonic acid, butyl 2,2,3,4,4,4-hexafluorobutyl ester. Dimethylmalonic acid, heptyl 2,2,3,4,4,4-hexafluorobutyl ester. Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl octyl ester. Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl nonyl ester. Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl isohexyl ester. Dimethylmalonic acid, isobutyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl isobutyl ester. Succinic acid, 3-methylbut-2-yl 2,2,3,4,4,4-hexafluorobutyl ester. Dimethylmalonic acid, butyl 2,2,3,3-tetrafluoropropyl ester. Succinic acid, 2-ethylhexyl 2,2,3,4,4,4-hexafluorobutyl ester. Diethylmalonic acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester. Succinic acid, cyclohexylmethyl 2,2,3,4,4,4-hexafluorobutyl ester. Glutaric acid, 2-ethylhexyl 2,2,3,4,4,4-hexafluorobutyl ester. Diethylmalonic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester.

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

Sources

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