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

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

InChI
InChI=1S/C18H28F6O4/c1-4-5-6-7-8-9-10-11-27-14(25)16(2,3)15(26)28-12-17(20,21)13(19)18(22,23)24/h13H,4-12H2,1-3H3
InChI Key
MRADZBZJACRLEP-UHFFFAOYSA-N
Formula
C18H28F6O4
SMILES
CCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)C(F)(F)F
Molecular Weight1
422.41
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Physical Properties

Property Value Unit Source
ΔfH°gas -2266.99 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 43.83 kJ/mol Joback Calculated Property
ΔvapH° 82.94 kJ/mol Relay (1.0) Calculated Property
log10WS -5.99 Relay (1.0) Calculated Property
logPoct/wat 5.385 Crippen Calculated Property
McVol 289.980 ml/mol McGowan Calculated Property
Inp 1716.00 NIST
Tboil 553.36 K Relay (1.0) Calculated Property
Tfus 259.89 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 [464.50; 1011.55] 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-1.21100e+00
Coefficient B2.05836e+00
Coefficient C-1.38320e-03
Coefficient D3.37600e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 464.50 J/mol×K 273.00 Calculated Property
Cp,gas 568.82 J/mol×K 353.78 Calculated Property
Cp,gas 659.76 J/mol×K 434.56 Calculated Property
Cp,gas 738.40 J/mol×K 515.33 Calculated Property
Cp,gas 805.80 J/mol×K 596.11 Calculated Property
Cp,gas 863.02 J/mol×K 676.89 Calculated Property
Cp,gas 911.14 J/mol×K 757.67 Calculated Property
Cp,gas 951.22 J/mol×K 838.44 Calculated Property
Cp,gas 984.34 J/mol×K 919.22 Calculated Property
Cp,gas 1011.55 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl octyl ester. Dimethylmalonic acid, heptyl 2,2,3,4,4,4-hexafluorobutyl ester. Dimethylmalonic acid, 2,2,3,4,4,4-hexafluorobutyl isohexyl ester. Dimethylmalonic acid, butyl 2,2,3,4,4,4-hexafluorobutyl ester. Dimethylmalonic acid, heptadecyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, 2,2,3,3-tetrafluoropropyl tridecyl ester. Dimethylmalonic acid, octyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, hexadecyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, tetradecyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, decyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, dodecyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, nonyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, octadecyl 2,2,3,3-tetrafluoropropyl ester. Dimethylmalonic acid, 2,2,3,3-tetrafluoropropyl undecyl ester. Dimethylmalonic acid, heptyl 2,2,3,3-tetrafluoropropyl ester.

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

Sources

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