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

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
  • Trimethyl aconitate
  • 1,2,3-Propenetricarboxylic acid, trimethyl ester
  • 3-Methoxycarbonyl-pent-2-enedioic acid dimethyl ester
  • Trimethyl 1-propene-1,2,3-tricarboxylate
  • Aconitic acid, trimethyl ester
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Physical Properties

Property Value Unit Source
ΔfH°gas -1024.34 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 31.06 kJ/mol Joback Calculated Property
ΔvapH° 77.05 kJ/mol Relay (1.0) Calculated Property
IE 9.98 eV Relay (1.0) Calculated Property
logPoct/wat -0.178 Crippen Calculated Property
McVol 155.690 ml/mol McGowan Calculated Property
Pc 2475.19 kPa Joback Calculated Property
Inp [1428.00; 1428.00]   Show Hide
Inp 1428.00 NIST
Inp 1428.00 NIST
Tboil 535.78 K Relay (1.0) Calculated Property
Tfus 302.91 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [377.67; 437.66] J/mol×K [584.22; 775.75] Show Hide
Cp,gas 377.67 J/mol×K 584.22 Joback Calculated Property
Cp,gas 389.30 J/mol×K 616.14 Joback Calculated Property
Cp,gas 400.28 J/mol×K 648.06 Joback Calculated Property
Cp,gas 410.61 J/mol×K 679.99 Joback Calculated Property
Cp,gas 420.29 J/mol×K 711.91 Joback Calculated Property
Cp,gas 429.31 J/mol×K 743.83 Joback Calculated Property
Cp,gas 437.66 J/mol×K 775.75 Joback Calculated Property

Similar Compounds

Trimethyl (1z)-1-propene-1,2,3-tricarboxylate. Triethyl (1z)-1-propene-1,2,3-tricarboxylate. 1,2,3-Propenetricarboxylic acid, triethyl ester. Methylaconitic acid, trimethyl ester. 1,2,3-Propenetricarboxylic acid, tri(2-methylpropyl) ester. 1-Propene-1,2,3-tricarboxylic acid, tributyl ester. 1,2,3-Propenetricarboxylic acid, tris(1-methylpropyl) ester. Dimethyl isopropylidene succinate. Butanedioic acid, methylene-, dimethyl ester. dimethyl 3-methylpent-2-enedioate. 3-Methylglutakonic acid dimethyl ester. 3-Methyl-pent-2-enedioic acid dimethyl ester, Z. 2-Pentenedioic acid, 2-methyl-, dimethyl ester. Itaconic acid diethyl ester. Bis(2,2,2-trifluoroethyl) itaconate.

Find more compounds similar to 1-Propene-1,2,3-tricarboxylic acid, trimethyl ester.

Sources

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