Chemical Properties of Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester

Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester

InChI
InChI=1S/C14H22BrF3O4/c1-4-5-6-7-8-21-11(19)13(2,3)12(20)22-10(9-15)14(16,17)18/h10H,4-9H2,1-3H3
InChI Key
DZKNTSRXMPOANL-UHFFFAOYSA-N
Formula
C14H22BrF3O4
SMILES
CCCCCCOC(=O)C(C)(C)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
391.22
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Physical Properties

Property Value Unit Source
ΔfH°gas -1597.54 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.93 kJ/mol Joback Calculated Property
ΔvapH° 75.29 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.005 Crippen Calculated Property
McVol 245.810 ml/mol McGowan Calculated Property
Inp 1624.00 NIST
Tboil 547.04 K Relay (1.0) Calculated Property
Tfus 280.50 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, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [685.30; 757.39] J/mol×K [693.43; 874.41] Show Hide
Cp,gas 685.30 J/mol×K 693.43 Joback Calculated Property
Cp,gas 699.48 J/mol×K 723.59 Joback Calculated Property
Cp,gas 712.75 J/mol×K 753.76 Joback Calculated Property
Cp,gas 725.13 J/mol×K 783.92 Joback Calculated Property
Cp,gas 736.68 J/mol×K 814.08 Joback Calculated Property
Cp,gas 747.42 J/mol×K 844.24 Joback Calculated Property
Cp,gas 757.39 J/mol×K 874.41 Joback Calculated Property

Similar Compounds

Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester. Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentyl ester. Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isohexyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl dodecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl nonyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester.

Find more compounds similar to Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester.

Sources

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