ChemSpider 2D Image | Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid | C7H8O4

Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid

  • Molecular FormulaC7H8O4
  • Average mass156.136 Da
  • Monoisotopic mass156.042252 Da
  • ChemSpider ID58540644

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acide bicyclo[1.1.1]pentane-1,3-dicarboxylique [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentan-1,3-dicarbonsäure [German] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid [ACD/Index Name] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 205.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 48.7±6.0 kJ/mol
Flash Point: 92.2±18.3 °C
Index of Refraction: 1.721
Molar Refractivity: 33.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 13.1±0.5 10-24cm3
Surface Tension: 140.2±3.0 dyne/cm
Molar Volume: 83.8±3.0 cm3

Click to predict properties on the Chemicalize site


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