Chemical Properties of 1-Propene-1,2,3-tricarboxylic acid, trimethyl ester (CAS 20820-77-3)

1-Propene-1,2,3-tricarboxylic acid, trimethyl ester

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InChI
InChI=1S/C9H12O6/c1-13-7(10)4-6(9(12)15-3)5-8(11)14-2/h4H,5H2,1-3H3
InChI Key
DZAIBGWGBBQGPZ-UHFFFAOYSA-N
Formula
C9H12O6
SMILES
COC(=O)C=C(CC(=O)OC)C(=O)OC
Molecular Weight1
216.19
CAS
20820-77-3
Other Names
  • 1,2,3-Propenetricarboxylic acid, trimethyl ester
  • 3-Methoxycarbonyl-pent-2-enedioic acid dimethyl ester
  • Aconitic acid, trimethyl ester
  • Trimethyl 1-propene-1,2,3-tricarboxylate
  • Trimethyl aconitate
Sources

Physical Properties

Property Value Unit Source
Δf -605.19 kJ/mol Joback Calculated Property
Δfgas -856.06 kJ/mol Joback Calculated Property
Δfus 26.32 kJ/mol Joback Calculated Property
Δvap 63.13 kJ/mol Joback Calculated Property
logPoct/wat -0.18 Crippen Calculated Property
Pc 2808.38 kPa Joback Calculated Property
Tboil 638.23 K Joback Calculated Property
Tc 836.65 K Joback Calculated Property
Tfus 388.63 K Joback Calculated Property
Vc 0.59 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 387.26 J/mol×K 638.23 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Trimethyl (1z)-1-propene-1,2,3-tricarboxylate. Methylaconitic acid, trimethyl ester. Triethyl (1z)-1-propene-1,2,3-tricarboxylate. 1,2,3-Propenetricarboxylic acid, triethyl ester. 1,2,3-Propenetricarboxylic acid, tributyl ester. 1,2,3-Propenetricarboxylic acid, tri(2-methylpropyl) ester. 1,2,3-Propenetricarboxylic acid, tris(1-methylpropyl) ester. Dimethyl isopropylidene succinate. (E)-1-Propene-1,2,3-tricarboxylic acid. Succinic acid, 2-hydroxymethylene-3-isopropylidene-, dimethyl ester. Dimethyl 1,4-cyclohexadiene-1,2-dicarboxylate. Butanedioic acid, methylene-, dimethyl ester. Dimethyl (Z)-2-n-hexyl-3-methylbutendioate. 3-Methylglutakonic acid dimethyl ester. 3-Methyl-pent-2-enedioic acid dimethyl ester, Z.

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