ChemSpider 2D Image | 3-Methyl-1,2-cyclopentanedicarboxylic acid | C8H12O4

3-Methyl-1,2-cyclopentanedicarboxylic acid

  • Molecular FormulaC8H12O4
  • Average mass172.178 Da
  • Monoisotopic mass172.073563 Da
  • ChemSpider ID26666977

More details:






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

1,2-Cyclopentanedicarboxylic acid, 3-methyl- [ACD/Index Name]
3-Methyl-1,2-cyclopentandicarbonsäure [German] [ACD/IUPAC Name]
3-Methyl-1,2-cyclopentanedicarboxylic acid [ACD/IUPAC Name]
Acide 3-méthyl-1,2-cyclopentanedicarboxylique [French] [ACD/IUPAC Name]
3-methylcyclopentane-1,2-dicarboxylic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 368.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.6±6.0 kJ/mol
Flash Point: 190.9±22.4 °C
Index of Refraction: 1.512
Molar Refractivity: 40.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.67
ACD/LogD (pH 7.4): -3.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 52.8±3.0 dyne/cm
Molar Volume: 133.2±3.0 cm3

Click to predict properties on the Chemicalize site





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