ChemSpider 2D Image | 1,2,2-Trimethylcyclopentanecarboxylic acid | C9H16O2

1,2,2-Trimethylcyclopentanecarboxylic acid

  • Molecular FormulaC9H16O2
  • Average mass156.222 Da
  • Monoisotopic mass156.115036 Da
  • ChemSpider ID13244823

More details:






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

1,2,2-Trimethylcyclopentancarbonsäure [German] [ACD/IUPAC Name]
1,2,2-Trimethylcyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide 1,2,2-triméthylcyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 1,2,2-trimethyl- [ACD/Index Name]
464-50-6 [RN]
MFCD11055197

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

Density: 1.0±0.1 g/cm3
Boiling Point: 241.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 52.7±6.0 kJ/mol
Flash Point: 115.3±13.1 °C
Index of Refraction: 1.459
Molar Refractivity: 43.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 11.78
ACD/KOC (pH 5.5): 137.15
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.39
Polar Surface Area: 37 Å2
Polarizability: 17.1±0.5 10-24cm3
Surface Tension: 32.1±3.0 dyne/cm
Molar Volume: 157.8±3.0 cm3

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