Chemical Properties of (E)-1-Propene-1,2,3-tricarboxylic acid (CAS 4023-65-8)

(E)-1-Propene-1,2,3-tricarboxylic acid

InChI
InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
InChI Key
GTZCVFVGUGFEME-HNQUOIGGSA-N
Formula
C6H6O6
SMILES
O=C(O)C=C(CC(=O)O)C(=O)O
Molecular Weight1
174.11
CAS
4023-65-8
Other Names
  • 1-Propene-1,2,3-tricarboxylic acid, trans
  • 1-Propene-1,trans-2,3-tricarboxylic acid
  • 1-propene-1,2,3-tricarboxylic acid, (E)-
  • Aconitic acid, trans
  • E-1-propene-1,2,3-tricarboxylic acid, tributyl ester
  • trans-1,2,3-propenetricarboxylic acid
  • trans-1-propene-1,2,3-tricarboxylic acid
  • trans-Aconitate
  • trans-achilleaic acid
  • trans-achilleic acid
  • trans-aconitic acid
  • trans-citridinic acid
  • trans-equisetic acid
  • trans-pyrocitric acid
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Physical Properties

Property Value Unit Source
ΔcH°solid -1985.80 ± 2.50 kJ/mol NIST
ΔfH°solid -1233.00 ± 3.00 kJ/mol NIST
ΔfusH° 40.62 kJ/mol Joback Calculated Property
IE 10.50 eV Relay (1.0) Calculated Property
logPoct/wat -0.443 Crippen Calculated Property
McVol 113.420 ml/mol McGowan Calculated Property
Tfus [455.75; 456.45] K Show Hide
Tfus 455.75 ± 0.80 K NIST
Tfus 456.45 ± 0.60 K NIST
Tfus 455.75 ± 0.80 K NIST
Tfus 456.45 ± 0.60 K NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [159.78; 330.36] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.63900e+00
Coefficient B7.46100e-01
Coefficient C-6.06500e-04
Coefficient D1.93400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 159.78 J/mol×K 273.00 Calculated Property
Cp,gas 193.97 J/mol×K 353.78 Calculated Property
Cp,gas 222.92 J/mol×K 434.56 Calculated Property
Cp,gas 247.25 J/mol×K 515.33 Calculated Property
Cp,gas 267.57 J/mol×K 596.11 Calculated Property
Cp,gas 284.48 J/mol×K 676.89 Calculated Property
Cp,gas 298.61 J/mol×K 757.67 Calculated Property
Cp,gas 310.55 J/mol×K 838.44 Calculated Property
Cp,gas 320.94 J/mol×K 919.22 Calculated Property
Cp,gas 330.36 J/mol×K 1000.00 Calculated Property

Similar Compounds

Butanedioic acid, methylene-. 3-Methyl-delta2-penten-1,5-dioic acid. 2-Isopropylidenebutanedioic acid. 1-Propene-1,2,3-tricarboxylic acid, trimethyl ester. Trimethyl (1z)-1-propene-1,2,3-tricarboxylate. Aconitic acid, tri-TMS. 1-Propene-1,2,3-tricarboxylic acid, tris(trimethylsilyl) ester, (Z)-. 1-Propene-1,2,3-tricarboxylic acid, tris(trimethylsilyl) ester, (E)-. 1,2,3-Propenetricarboxylic acid, triethyl ester. Triethyl (1z)-1-propene-1,2,3-tricarboxylate. 1,2,3-Propenetricarboxylic acid, tris(1-methylpropyl) ester. 1,2,3-Propenetricarboxylic acid, tri(2-methylpropyl) ester. 1-Propene-1,2,3-tricarboxylic acid, tributyl ester. 4-METHYL HYDROGEN METHYLENESUCCINATE. trans-Aconitic acid, tris(tert-butyldimethylsilyl) ester.

Find more compounds similar to (E)-1-Propene-1,2,3-tricarboxylic acid.

Mixtures

Sources

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