ChemSpider 2D Image | (5R)-2-Iodo-5-methyl-2-cyclohexene-1,4-dione | C7H7IO2

(5R)-2-Iodo-5-methyl-2-cyclohexene-1,4-dione

  • Molecular FormulaC7H7IO2
  • Average mass250.034 Da
  • Monoisotopic mass249.949066 Da
  • ChemSpider ID30660050

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-2-Iod-5-methyl-2-cyclohexen-1,4-dion [German] [ACD/IUPAC Name]
(5R)-2-Iodo-5-methyl-2-cyclohexene-1,4-dione [ACD/IUPAC Name]
(5R)-2-Iodo-5-méthyl-2-cyclohexène-1,4-dione [French] [ACD/IUPAC Name]
2-Cyclohexene-1,4-dione, 2-iodo-5-methyl-, (5R)- [ACD/Index 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: 271.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.0±3.0 kJ/mol
Flash Point: 118.2±27.3 °C
Index of Refraction: 1.591
Molar Refractivity: 45.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.48
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.31
ACD/KOC (pH 5.5): 82.01
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.31
ACD/KOC (pH 7.4): 82.01
Polar Surface Area: 34 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 133.9±5.0 cm3

Click to predict properties on the Chemicalize site


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