ChemSpider 2D Image | 4-[(6,7-Dichloro-2-cyclopentyl-1-oxo-2-propyl-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid | C21H26Cl2O4

4-[(6,7-Dichloro-2-cyclopentyl-1-oxo-2-propyl-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid

  • Molecular FormulaC21H26Cl2O4
  • Average mass413.335 Da
  • Monoisotopic mass412.120819 Da
  • ChemSpider ID15032069

More details:

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

4-[(6,7-Dichlor-2-cyclopentyl-1-oxo-2-propyl-2,3-dihydro-1H-inden-5-yl)oxy]butansäure [German] [ACD/IUPAC Name]
4-[(6,7-Dichloro-2-cyclopentyl-1-oxo-2-propyl-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid [ACD/IUPAC Name]
Acide 4-[(6,7-dichloro-2-cyclopentyl-1-oxo-2-propyl-2,3-dihydro-1H-indén-5-yl)oxy]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-2-propyl-1H-inden-5-yl)oxy]- [ACD/Index Name]
(±)-4-(6,7-Dichloro-2-cyclopentyl-1-oxo-2-propyl-indan-5-yloxy)-butyric acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 307.8±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 7.23
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 1949.12
ACD/KOC (pH 5.5): 4062.49
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 30.65
ACD/KOC (pH 7.4): 63.89
Polar Surface Area: 64 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 321.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement