ChemSpider 2D Image | 4-(2,2,3-Trimethylcyclopentyl)butanoic acid | C12H22O2

4-(2,2,3-Trimethylcyclopentyl)butanoic acid

  • Molecular FormulaC12H22O2
  • Average mass198.302 Da
  • Monoisotopic mass198.161987 Da
  • ChemSpider ID26519187

More details:

Featured data source
The Merck Index Online

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

18641575 [Beilstein]
2,2,3-Trimethylcyclopentanebutanoic acid
4-(2,2,3-Trimethylcyclopentyl)butanoic acid [ACD/IUPAC Name]
4-(2,2,3-Trimethylcyclopentyl)butansäure [German] [ACD/IUPAC Name]
957136-80-0 [RN]
Acide 4-(2,2,3-triméthylcyclopentyl)butanoïque [French] [ACD/IUPAC Name]
Cyclopentanebutanoic acid, 2,2,3-trimethyl- [ACD/Index Name]
L5TJ A3VQ B1 B1 C1 [WLN]
1426542-57-5 [RN]
FEMA 4529
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5TW408347K [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 289.3±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.2±6.0 kJ/mol
Flash Point: 132.6±9.8 °C
Index of Refraction: 1.452
Molar Refractivity: 57.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 62.85
ACD/KOC (pH 5.5): 410.96
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 6.66
Polar Surface Area: 37 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 32.8±3.0 dyne/cm
Molar Volume: 212.3±3.0 cm3

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