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

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

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InChI
InChI=1S/C15H24BrF3O4/c1-4-7-8-9-22-12(20)14(5-2,6-3)13(21)23-11(10-16)15(17,18)19/h11H,4-10H2,1-3H3
InChI Key
LNVZDUPSSGBEDE-UHFFFAOYSA-N
Formula
C15H24BrF3O4
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)OC(CBr)C(F)(F)F
Molecular Weight1
405.25
Sources

Physical Properties

Property Value Unit Source
Δf -959.29 kJ/mol Joback Calculated Property
Δfgas -1427.31 kJ/mol Joback Calculated Property
Δfus 36.35 kJ/mol Joback Calculated Property
Δvap 68.30 kJ/mol Joback Calculated Property
logPoct/wat 4.40 Crippen Calculated Property
Pc 1495.35 kPa Joback Calculated Property
Tboil 752.25 K Joback Calculated Property
Tc 938.03 K Joback Calculated Property
Tfus 454.54 K Joback Calculated Property
Vc 1.01 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 751.07 J/mol×K 752.25 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
-F 3
>C=O (nonring) 2
-CH2- 7
>C< 2
-CH3 3
-Br 1

Similar Compounds

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 hexadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl heptadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tetradecyl 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 decyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl pentadecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl octyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl tridecyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl isobutyl ester. Diethylmalonic acid, 1-bromo-3,3,3-trifluoroprop-2-yl ethyl ester.

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