Chemical Properties of Fumaric acid, butyl pentachlorophenyl ester

Fumaric acid, butyl pentachlorophenyl ester

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InChI
InChI=1S/C14H11Cl5O4/c1-2-3-6-22-7(20)4-5-8(21)23-14-12(18)10(16)9(15)11(17)13(14)19/h4-5H,2-3,6H2,1H3/b5-4+
InChI Key
FWAPVTJQGLXHOP-SNAWJCMRSA-N
Formula
C14H11Cl5O4
SMILES
CCCCOC(=O)C=CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Molecular Weight1
420.50
Sources

Physical Properties

Property Value Unit Source
Δf -316.01 kJ/mol Joback Calculated Property
Δfgas -604.19 kJ/mol Joback Calculated Property
Δfus 50.87 kJ/mol Joback Calculated Property
Δvap 92.54 kJ/mol Joback Calculated Property
logPoct/wat 5.76 Crippen Calculated Property
Pc 1815.41 kPa Joback Calculated Property
Tboil 915.19 K Joback Calculated Property
Tc 1147.20 K Joback Calculated Property
Tfus 625.40 K Joback Calculated Property
Vc 0.98 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 616.95 J/mol×K 915.19 Joback Calculated Property
η 0.00 Pa×s 915.19 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-Cl 5
>C=O (nonring) 2
=C< (ring) 6
-CH2- 3
=CH- 2
-CH3 1

Similar Compounds

Fumaric acid, pentachlorophenyl pentyl ester. Fumaric acid, pentyl 2,3,4,6-tetrachlorophenyl ester. Fumaric acid, pentachlorophenyl propyl ester. Fumaric acid, hexyl pentachlorophenyl ester. Fumaric acid, propyl 2,3,4,6-tetrachlorophenyl ester. Fumaric acid, isohexyl pentachlorophenyl ester. Fumaric acid, pentyl 2,3,4,5-tetrachlorophenyl ester. Fumaric acid, nonyl 2,3,4,6-tetrachlorophenyl ester. Fumaric acid, decyl 2,3,4,6-tetrachlorophenyl ester. Fumaric acid, 2,3,4,6-tetrachlorophenyl undecyl ester. Fumaric acid, dodecyl 2,3,4,6-tetrachlorophenyl ester. Fumaric acid, heptyl 2,3,4,6-tetrachlorophenyl ester. Fumaric acid, octyl 2,3,4,6-tetrachlorophenyl ester. Fumaric acid, hexyl 2,3,4,5-tetrachlorophenyl ester. Fumaric acid, propyl 2,3,4,5-tetrachlorophenyl ester.

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