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

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

InChI
InChI=1S/C13H18F6O4/c1-4-5-6-22-9(20)11(2,3)10(21)23-7-12(15,16)8(14)13(17,18)19/h8H,4-7H2,1-3H3
InChI Key
MSIQMCXQQZLSDF-UHFFFAOYSA-N
Formula
C13H18F6O4
SMILES
CCCCOC(=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 -2174.85 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.88 kJ/mol Joback Calculated Property
ΔvapH° 65.44 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.435 Crippen Calculated Property
McVol 219.530 ml/mol McGowan Calculated Property
Inp [1268.00; 1268.00]   Show Hide
Inp 1268.00 NIST
Inp 1268.00 NIST
Tboil 491.00 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 [358.43; 753.59] 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 A3.33400e+00
Coefficient B1.58336e+00
Coefficient C-1.11120e-03
Coefficient D2.78100e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 358.43 J/mol×K 273.00 Calculated Property
Cp,gas 436.73 J/mol×K 353.78 Calculated Property
Cp,gas 504.38 J/mol×K 434.56 Calculated Property
Cp,gas 562.25 J/mol×K 515.33 Calculated Property
Cp,gas 611.24 J/mol×K 596.11 Calculated Property
Cp,gas 652.21 J/mol×K 676.89 Calculated Property
Cp,gas 686.06 J/mol×K 757.67 Calculated Property
Cp,gas 713.65 J/mol×K 838.44 Calculated Property
Cp,gas 735.87 J/mol×K 919.22 Calculated Property
Cp,gas 753.59 J/mol×K 1000.00 Calculated Property

Similar Compounds

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, 2,2,3,4,4,4-hexafluorobutyl isobutyl ester. Dimethylmalonic acid, di(2,2,3,4,4,4-hexafluorobutyl) ester. Dimethylmalonic acid, butyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, butyl 2,2,3,3,3-pentafluoropropyl ester. Diethylmalonic acid, butyl 2,2,3,3,4,4,4-heptafluorobutyl ester. Dimethylmalonic acid, pentyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, hexyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, heptyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, octadecyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, decyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, octyl 2,2,3,3-tetrafluoropropyl ester.

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

Sources

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