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

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

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InChI
InChI=1S/C13H20BrF3O4/c1-4-5-6-7-20-10(18)12(2,3)11(19)21-9(8-14)13(15,16)17/h9H,4-8H2,1-3H3
InChI Key
NGELFJQIEDGPAB-UHFFFAOYSA-N
Formula
C13H20BrF3O4
SMILES
CCCCCOC(=O)C(C)(C)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
377.20
Sources

Physical Properties

Property Value Unit Source
Δf -976.13 kJ/mol Joback Calculated Property
Δfgas -1386.03 kJ/mol Joback Calculated Property
Δfus 31.17 kJ/mol Joback Calculated Property
Δvap 63.85 kJ/mol Joback Calculated Property
logPoct/wat 3.62 Crippen Calculated Property
Pc 1744.82 kPa Joback Calculated Property
Tboil 706.49 K Joback Calculated Property
Tc 892.82 K Joback Calculated Property
Tfus 432.00 K Joback Calculated Property
Vc 0.90 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 642.06 J/mol×K 706.49 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-F 3
-CH2- 5
>C< 2
-CH3 3
>C=O (nonring) 2
-Br 1

Similar Compounds

Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexyl ester. Dimethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isohexyl ester. Dimethylmalonic acid, di(1-bromo-3,3,3-trifluoroprop-2-yl) 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 dodecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl undecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl nonyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl hexadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl ester.

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