ChemSpider 2D Image | (3E)-1,3-Butadiene-1,1,4-tricarboxylic acid | C7H6O6

(3E)-1,3-Butadiene-1,1,4-tricarboxylic acid

  • Molecular FormulaC7H6O6
  • Average mass186.119 Da
  • Monoisotopic mass186.016434 Da
  • ChemSpider ID27027427

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-1,3-Butadien-1,1,4-tricarbonsäure [German] [ACD/IUPAC Name]
(3E)-1,3-Butadiene-1,1,4-tricarboxylic acid [ACD/IUPAC Name]
1,3-Butadiene-1,1,4-tricarboxylic acid, (3E)- [ACD/Index Name]
Acide (3E)-1,3-butadiène-1,1,4-tricarboxylique [French] [ACD/IUPAC Name]
59826-67-4 [RN]
6155-44-8 [RN]
BUTA-1,3-DIENE-1,1,4-TRICARBOXYLIC ACID

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

Density: 1.6±0.1 g/cm3
Boiling Point: 433.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±6.0 kJ/mol
Flash Point: 229.8±21.1 °C
Index of Refraction: 1.596
Molar Refractivity: 39.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.47
ACD/LogD (pH 5.5): -4.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 82.6±3.0 dyne/cm
Molar Volume: 115.0±3.0 cm3

Click to predict properties on the Chemicalize site


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