ChemSpider 2D Image | (1Z)-1-Pentene-1,2,5-tricarboxylate | C8H7O6

(1Z)-1-Pentene-1,2,5-tricarboxylate

  • Molecular FormulaC8H7O6
  • Average mass199.139 Da
  • Monoisotopic mass199.025909 Da
  • ChemSpider ID28639105

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1Z)-1-Penten-1,2,5-tricarboxylat [German] [ACD/IUPAC Name]
(1Z)-1-Pentene-1,2,5-tricarboxylate [ACD/IUPAC Name]
(1Z)-1-Pentène-1,2,5-tricarboxylate [French] [ACD/IUPAC Name]
1-Pentene-1,2,5-tricarboxylic acid, ion(3-), (1Z)- [ACD/Index Name]
(1Z)-pent-1-ene-1,2,5-tricarboxylate
(Z)-1,2,5-pent-1-enetricarboxylate(3-)
(Z)-dihomoaconitate(3-)
cis-(homo)2aconitate
cis-(homo)2aconitate(3-)
cis-dihomoaconitate
More...
  • Miscellaneous

    • Chemical Class:

      A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of cis-dihomoaconitic acid; major species at pH 7.3. ChEBI CHEBI:72710

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 515.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 279.6±26.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.37
ACD/LogD (pH 5.5): -3.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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