Chemical Properties of Dimethylmalonic acid, dodecyl pentachlorophenyl ester

Dimethylmalonic acid, dodecyl pentachlorophenyl ester

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InChI
InChI=1S/C23H31Cl5O4/c1-4-5-6-7-8-9-10-11-12-13-14-31-21(29)23(2,3)22(30)32-20-18(27)16(25)15(24)17(26)19(20)28/h4-14H2,1-3H3
InChI Key
OIXATLVZKLVBLC-UHFFFAOYSA-N
Formula
C23H31Cl5O4
SMILES
CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Molecular Weight1
548.76
Sources

Physical Properties

Property Value Unit Source
Δf -317.61 kJ/mol Joback Calculated Property
Δfgas -915.92 kJ/mol Joback Calculated Property
Δfus 66.57 kJ/mol Joback Calculated Property
Δvap 111.32 kJ/mol Joback Calculated Property
logPoct/wat 9.35 Crippen Calculated Property
Pc 950.25 kPa Joback Calculated Property
Tboil 1113.72 K Joback Calculated Property
Tc 1364.34 K Joback Calculated Property
Tfus 734.33 K Joback Calculated Property
Vc 1.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1166.42 J/mol×K 1113.72 Joback Calculated Property
η 0.00 Pa×s 1113.72 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-Cl 5
>C=O (nonring) 2
=C< (ring) 6
-CH2- 11
>C< 1
-CH3 3

Similar Compounds

Dimethylmalonic acid, 2,3,5-trichlorophenyl undecyl ester. Dimethylmalonic acid, decyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, heptyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, pentyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, isohexyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, propyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, isobutyl 2,3,5-trichlorophenyl ester. Dimethylmalonic acid, 2,3-dichlorophenyl nonyl ester. Dimethylmalonic acid, 2,3-dichlorophenyl heptyl ester. Diethylmalonic acid, decyl 2,4,5-trichlorophenyl ester. Diethylmalonic acid, nonyl 2,3,6-trichlorophenyl ester. Diethylmalonic acid, nonyl 2,4,5-trichlorophenyl ester. Diethylmalonic acid, heptyl 2,4,5-trichlorophenyl ester. Diethylmalonic acid, heptyl 2,3,6-trichlorophenyl ester. Diethylmalonic acid, dodecyl 2,4,5-trichlorophenyl ester.

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