Chemical Properties of Dibutyl itaconate (CAS 2155-60-4)

Dibutyl itaconate

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InChI
InChI=1S/C13H22O4/c1-4-6-8-16-12(14)10-11(3)13(15)17-9-7-5-2/h3-10H2,1-2H3
InChI Key
OGVXYCDTRMDYOG-UHFFFAOYSA-N
Formula
C13H22O4
SMILES
C=C(CC(=O)OCCCC)C(=O)OCCCC
Molecular Weight1
242.31
CAS
2155-60-4
Other Names
  • Butanedioic acid, 2-methylene, dibutyl ester
  • Butanedioic acid, methylene-, dibutyl ester
  • Di(n-butyl) itaconate
  • Itaconic acid, dibutyl ester
  • Succinic acid, methylene-, dibutyl ester
Sources

Physical Properties

Property Value Unit Source
Δf -329.97 kJ/mol Joback Calculated Property
Δfgas -685.61 kJ/mol Joback Calculated Property
Δfus 32.41 kJ/mol Joback Calculated Property
Δvap 62.25 kJ/mol Joback Calculated Property
logPoct/wat 2.62 Crippen Calculated Property
Pc 1846.75 kPa Joback Calculated Property
Tboil 645.98 K Joback Calculated Property
Tc 827.19 K Joback Calculated Property
Tfus 364.87 K Joback Calculated Property
Vc 0.79 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 545.56 J/mol×K 645.98 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
=C< 1
>C=O (nonring) 2
=CH2 1
-CH2- 7
-CH3 2

Similar Compounds

Diethylitaconate. Bis(2-ethylhexyl) methylenesuccinate. Butanedioic acid, methylene-, dimethyl ester. Bis(2,2,2-trifluoroethyl) itaconate. 4-Methyl itaconate. 1,2,3-Propenetricarboxylic acid, tributyl ester. Succinic acid, butyl 3-methylbut-3-enyl ester. Succinic acid, ethyl 3-methylbut-3-enyl ester. Succinic acid, 3-methylbut-3-enyl propyl ester. Succinic acid, di(3-methylbut-3-enyl) ester. Succinic acid, hexyl 3-methylbut-3-enyl ester. 1,4-Butylene glycol dimethacrylate. Succinic acid, 3-methylbut-3-enyl nonyl ester. Succinic acid, 3-methylbut-3-enyl undecyl ester. Succinic acid, hexadecyl 3-methylbut-3-enyl ester.

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