Chemical Properties of Dimethylmalonic acid, 4-chlorophenyl ethyl ester

Dimethylmalonic acid, 4-chlorophenyl ethyl ester

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InChI
InChI=1S/C13H15ClO4/c1-4-17-11(15)13(2,3)12(16)18-10-7-5-9(14)6-8-10/h5-8H,4H2,1-3H3
InChI Key
YARLDFPKAPGMBN-UHFFFAOYSA-N
Formula
C13H15ClO4
SMILES
CCOC(=O)C(C)(C)C(=O)Oc1ccc(Cl)cc1
Molecular Weight1
270.71
Sources

Physical Properties

Property Value Unit Source
Δf -315.57 kJ/mol Joback Calculated Property
Δfgas -600.68 kJ/mol Joback Calculated Property
Δfus 25.44 kJ/mol Joback Calculated Property
Δvap 68.87 kJ/mol Joback Calculated Property
logPoct/wat 2.83 Crippen Calculated Property
Pc 2320.31 kPa Joback Calculated Property
Tboil 715.28 K Joback Calculated Property
Tc 938.11 K Joback Calculated Property
Tfus 451.87 K Joback Calculated Property
Vc 0.74 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 515.80 J/mol×K 715.28 Joback Calculated Property
η 0.00 Pa×s 715.28 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-Cl 1
=CH- (ring) 4
=C< (ring) 2
-CH2- 1
>C< 1
-CH3 3
>C=O (nonring) 2

Similar Compounds

Dimethylmalonic acid, 4-chlorophenyl propyl ester. Dimethylmalonic acid, 4-chlorophenyl isobutyl ester. Dimethylmalonic acid, butyl 4-chlorophenyl ester. Dimethylmalonic acid, 4-chlorophenyl pentyl ester. Dimethylmalonic acid, 4-chlorophenyl hexyl ester. Dimethylmalonic acid, 4-chlorophenyl isohexyl ester. Dimethylmalonic acid, 4-chlorophenyl dodecyl ester. Dimethylmalonic acid, 4-chlorophenyl pentadecyl ester. Dimethylmalonic acid, 4-chlorophenyl octyl ester. Dimethylmalonic acid, 4-chlorophenyl undecyl ester. Dimethylmalonic acid, 4-chlorophenyl heptadecyl ester. Dimethylmalonic acid, 4-chlorophenyl heptyl ester. Dimethylmalonic acid, 4-chlorophenyl nonyl ester. Dimethylmalonic acid, 4-chlorophenyl decyl ester. Dimethylmalonic acid, 4-chlorophenyl hexadecyl ester.

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