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

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

InChI
InChI=1S/C14H21F5O4/c1-9(2)6-5-7-22-10(20)12(3,4)11(21)23-8-13(15,16)14(17,18)19/h9H,5-8H2,1-4H3
InChI Key
HWDZIYZJDBYSPA-UHFFFAOYSA-N
Formula
C14H21F5O4
SMILES
CC(C)CCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)(F)F
Molecular Weight1
348.31
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Physical Properties

Property Value Unit Source
ΔfH°gas -2006.91 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 30.39 kJ/mol Joback Calculated Property
ΔvapH° 66.93 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.733 Crippen Calculated Property
McVol 231.850 ml/mol McGowan Calculated Property
Inp [1301.00; 1301.00]   Show Hide
Inp 1301.00 NIST
Inp 1301.00 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 [371.45; 798.11] 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-3.66600e+00
Coefficient B1.66658e+00
Coefficient C-1.14920e-03
Coefficient D2.84400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 371.45 J/mol×K 273.00 Calculated Property
Cp,gas 454.69 J/mol×K 353.78 Calculated Property
Cp,gas 526.88 J/mol×K 434.56 Calculated Property
Cp,gas 588.91 J/mol×K 515.33 Calculated Property
Cp,gas 641.68 J/mol×K 596.11 Calculated Property
Cp,gas 686.09 J/mol×K 676.89 Calculated Property
Cp,gas 723.04 J/mol×K 757.67 Calculated Property
Cp,gas 753.42 J/mol×K 838.44 Calculated Property
Cp,gas 778.15 J/mol×K 919.22 Calculated Property
Cp,gas 798.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, isohexyl 2,2,3,3-tetrafluoropropyl 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, nonyl 2,2,3,3,3-pentafluoropropyl ester. Dimethylmalonic acid, hexadecyl 2,2,3,3,3-pentafluoropropyl ester. Dimethylmalonic acid, octadecyl 2,2,3,3,3-pentafluoropropyl ester. Dimethylmalonic acid, dodecyl 2,2,3,3,3-pentafluoropropyl ester. Dimethylmalonic acid, 2,2,3,3,3-pentafluoropropyl tetradecyl ester. Dimethylmalonic acid, heptadecyl 2,2,3,3,3-pentafluoropropyl ester. Dimethylmalonic acid, 2,2,3,3,3-pentafluoropropyl tridecyl ester. Dimethylmalonic acid, octyl 2,2,3,3,3-pentafluoropropyl ester. Dimethylmalonic acid, decyl 2,2,3,3,3-pentafluoropropyl ester. Dimethylmalonic acid, pentyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, hexyl 2,2,3,3-tetrafluoropropyl ester.

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

Sources

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