Chemical Properties of Dimethylmalonic acid, 3-methylphenyl nonyl ester

Dimethylmalonic acid, 3-methylphenyl nonyl ester

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InChI
InChI=1S/C21H32O4/c1-5-6-7-8-9-10-11-15-24-19(22)21(3,4)20(23)25-18-14-12-13-17(2)16-18/h12-14,16H,5-11,15H2,1-4H3
InChI Key
SZCNTTUAQWNHOB-UHFFFAOYSA-N
Formula
C21H32O4
SMILES
CCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1cccc(C)c1
Molecular Weight1
348.48
Sources

Physical Properties

Property Value Unit Source
Δf -236.28 kJ/mol Joback Calculated Property
Δfgas -750.06 kJ/mol Joback Calculated Property
Δfus 41.96 kJ/mol Joback Calculated Property
Δvap 82.29 kJ/mol Joback Calculated Property
logPoct/wat 5.22 Crippen Calculated Property
Pc 1269.16 kPa Joback Calculated Property
Tboil 860.89 K Joback Calculated Property
Tc 1066.30 K Joback Calculated Property
Tfus 512.11 K Joback Calculated Property
Vc 1.14 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 937.93 J/mol×K 860.89 Joback Calculated Property
η 0.00 Pa×s 860.89 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
>C=O (nonring) 2
=CH- (ring) 4
=C< (ring) 2
-CH2- 8
>C< 1
-CH3 4

Similar Compounds

Dimethylmalonic acid, heptyl 3-methylphenyl ester. Dimethylmalonic acid, 3-methylphenyl octyl ester. Dimethylmalonic acid, hexyl 3-methylphenyl ester. Dimethylmalonic acid, 3-methylphenyl pentyl ester. Dimethylmalonic acid, isohexyl 3-methylphenyl ester. Dimethylmalonic acid, 3-ethylphenyl undecyl ester. Dimethylmalonic acid, decyl 3-ethylphenyl ester. Dimethylmalonic acid, 3-ethylphenyl heptyl ester. Dimethylmalonic acid, 3-ethylphenyl tridecyl ester. Dimethylmalonic acid, 3-ethylphenyl octyl ester. Dimethylmalonic acid, dodecyl 3-ethylphenyl ester. Dimethylmalonic acid, 3-ethylphenyl pentyl ester. Diethylmalonic acid, heptyl 3-methylphenyl ester. Diethylmalonic acid, 3-methylphenyl pentadecyl ester. Diethylmalonic acid, 3-methylphenyl octadecyl ester.

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