ChemSpider 2D Image | cis-dihomoaconitic acid | C8H10O6

cis-dihomoaconitic acid

  • Molecular FormulaC8H10O6
  • Average mass202.161 Da
  • Monoisotopic mass202.047745 Da
  • ChemSpider ID28639104

  • 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-tricarbonsäure [German] [ACD/IUPAC Name]
(1Z)-1-Pentene-1,2,5-tricarboxylic acid [ACD/IUPAC Name]
1-Pentene-1,2,5-tricarboxylic acid, (1Z)- [ACD/Index Name]
Acide (1Z)-1-pentène-1,2,5-tricarboxylique [French] [ACD/IUPAC Name]
cis-dihomoaconitic acid
(1Z)-pent-1-ene-1,2,5-tricarboxylic acid
(Z)-1,2,5-pent-1-enetricarboxylic acid
(Z)-dihomoaconitic acid
C20581
cis-(Homo)2-aconitate

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

Density: 1.5±0.1 g/cm3
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: 1.547
Molar Refractivity: 43.7±0.3 cm3
#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: 112 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 70.3±3.0 dyne/cm
Molar Volume: 137.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement