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

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

InChI
InChI=1S/C14H22BrF3O4/c1-9(2)6-5-7-21-11(19)13(3,4)12(20)22-10(8-15)14(16,17)18/h9-10H,5-8H2,1-4H3
InChI Key
GCWSEMVYWQOVFC-UHFFFAOYSA-N
Formula
C14H22BrF3O4
SMILES
CC(C)CCCOC(=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
ΔfusH° 33.40 kJ/mol Joback Calculated Property
logPoct/wat 3.861 Crippen Calculated Property
McVol 245.810 ml/mol McGowan Calculated Property
Inp [1591.00; 1591.00]   Show Hide
Inp 1591.00 NIST
Inp 1591.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [370.18; 792.11] 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 A1.51340e+01
Coefficient B1.56128e+00
Coefficient C-1.01920e-03
Coefficient D2.34900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 370.18 J/mol×K 273.00 Calculated Property
Cp,gas 450.32 J/mol×K 353.78 Calculated Property
Cp,gas 520.41 J/mol×K 434.56 Calculated Property
Cp,gas 581.19 J/mol×K 515.33 Calculated Property
Cp,gas 633.42 J/mol×K 596.11 Calculated Property
Cp,gas 677.82 J/mol×K 676.89 Calculated Property
Cp,gas 715.15 J/mol×K 757.67 Calculated Property
Cp,gas 746.15 J/mol×K 838.44 Calculated Property
Cp,gas 771.55 J/mol×K 919.22 Calculated Property
Cp,gas 792.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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