Chemical Properties of Dimethylmalonic acid, isobutyl 2,2,3,3,3-pentafluoropropyl ester

Dimethylmalonic acid, isobutyl 2,2,3,3,3-pentafluoropropyl ester

InChI
InChI=1S/C12H17F5O4/c1-7(2)5-20-8(18)10(3,4)9(19)21-6-11(13,14)12(15,16)17/h7H,5-6H2,1-4H3
InChI Key
XESDDKQNVZVJBZ-UHFFFAOYSA-N
Formula
C12H17F5O4
SMILES
CC(C)COC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)(F)F
Molecular Weight1
320.25
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Physical Properties

Property Value Unit Source
ΔfH°gas -1966.95 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 25.21 kJ/mol Joback Calculated Property
ΔvapH° 61.03 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.953 Crippen Calculated Property
McVol 203.670 ml/mol McGowan Calculated Property
Inp [1107.00; 1107.00]   Show Hide
Inp 1107.00 NIST
Inp 1107.00 NIST
Tboil 466.94 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [329.02; 694.93] 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-1.84800e+00
Coefficient B1.47658e+00
Coefficient C-1.04040e-03
Coefficient D2.60600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 329.02 J/mol×K 273.00 Calculated Property
Cp,gas 401.86 J/mol×K 353.78 Calculated Property
Cp,gas 464.73 J/mol×K 434.56 Calculated Property
Cp,gas 518.45 J/mol×K 515.33 Calculated Property
Cp,gas 563.86 J/mol×K 596.11 Calculated Property
Cp,gas 601.77 J/mol×K 676.89 Calculated Property
Cp,gas 633.00 J/mol×K 757.67 Calculated Property
Cp,gas 658.39 J/mol×K 838.44 Calculated Property
Cp,gas 678.76 J/mol×K 919.22 Calculated Property
Cp,gas 694.93 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, butyl 2,2,3,3,3-pentafluoropropyl ester. Dimethylmalonic acid, diisobutyl ester. Malonic acid, dimethyl-, diisobutyl ester. Dimethylmalonic acid, di(2,2,3,3-tetrafluoropropyl) ester. Dimethylmalonic acid, isobutyl neopentyl ester. Dimethylmalonic acid, butyl 2,2,3,3-tetrafluoropropyl ester. Diethylmalonic acid, isobutyl 2,2,3,3,3-pentafluoropropyl ester. Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl isobutyl ester. Dimethylmalonic acid, ethyl isobutyl ester. Dimethylmalonic acid, 2,2,3,3,3-pentafluoropropyl pentyl ester. Dimethylmalonic acid, hexyl 2,2,3,3,3-pentafluoropropyl ester. Dimethylmalonic acid, heptyl 2,2,3,3,3-pentafluoropropyl ester. Dimethylmalonic acid, 2,2,3,3,3-pentafluoropropyl tridecyl ester. Dimethylmalonic acid, 2,2,3,3,3-pentafluoropropyl tetradecyl ester. Dimethylmalonic acid, heptadecyl 2,2,3,3,3-pentafluoropropyl ester.

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

Sources

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