Chemical Properties of Dimethylmalonic acid, isohexyl 3-methylphenyl ester

Dimethylmalonic acid, isohexyl 3-methylphenyl ester

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InChI
InChI=1S/C18H26O4/c1-13(2)8-7-11-21-16(19)18(4,5)17(20)22-15-10-6-9-14(3)12-15/h6,9-10,12-13H,7-8,11H2,1-5H3
InChI Key
FJWPCOBOQFDTCA-UHFFFAOYSA-N
Formula
C18H26O4
SMILES
Cc1cccc(OC(=O)C(C)(C)C(=O)OCCCC(C)C)c1
Molecular Weight1
306.40
Sources

Physical Properties

Property Value Unit Source
Δf -263.98 kJ/mol Joback Calculated Property
Δfgas -693.42 kJ/mol Joback Calculated Property
Δfus 30.67 kJ/mol Joback Calculated Property
Δvap 75.23 kJ/mol Joback Calculated Property
logPoct/wat 3.91 Crippen Calculated Property
Pc 1586.01 kPa Joback Calculated Property
Tboil 791.81 K Joback Calculated Property
Tc 1001.25 K Joback Calculated Property
Tfus 463.30 K Joback Calculated Property
Vc 0.97 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 763.36 J/mol×K 791.81 Joback Calculated Property
η 0.00 Pa×s 791.81 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 3
>C< 1
-CH3 5

Similar Compounds

Dimethylmalonic acid, 3-methylphenyl pentyl ester. Dimethylmalonic acid, hexyl 3-methylphenyl ester. Dimethylmalonic acid, 3-methylphenyl nonyl ester. Dimethylmalonic acid, 3-methylphenyl octyl ester. Dimethylmalonic acid, heptyl 3-methylphenyl ester. Dimethylmalonic acid, 3-ethylphenyl pentyl ester. Dimethylmalonic acid, 3-ethylphenyl octyl ester. Dimethylmalonic acid, dodecyl 3-ethylphenyl ester. Dimethylmalonic acid, 3-ethylphenyl undecyl ester. Dimethylmalonic acid, 3-ethylphenyl tridecyl ester. Dimethylmalonic acid, 3-ethylphenyl heptyl ester. Dimethylmalonic acid, decyl 3-ethylphenyl ester. Diethylmalonic acid, pentyl 3-methylphenyl ester. Diethylmalonic acid, hexyl 3-methylphenyl ester. Diethylmalonic acid, butyl 3-methylphenyl ester.

Find more compounds similar to Dimethylmalonic acid, isohexyl 3-methylphenyl ester.

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