ChemSpider 2D Image | (1R,8S)-Bicyclo[6.1.0]nona-2,4,6-triene | C9H10

(1R,8S)-Bicyclo[6.1.0]nona-2,4,6-triene

  • Molecular FormulaC9H10
  • Average mass118.176 Da
  • Monoisotopic mass118.078247 Da
  • ChemSpider ID57535834
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1R,8S)-Bicyclo[6.1.0]nona-2,4,6-trien [German] [ACD/IUPAC Name]
(1R,8S)-Bicyclo[6.1.0]nona-2,4,6-triene [ACD/IUPAC Name]
(1R,8S)-Bicyclo[6.1.0]nona-2,4,6-triène [French] [ACD/IUPAC Name]
Bicyclo[6.1.0]nona-2,4,6-triene, (1R,8S)- [ACD/Index Name]
26132-66-1 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 181.1±7.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 40.0±0.8 kJ/mol
Flash Point: 40.1±13.0 °C
Index of Refraction: 1.549
Molar Refractivity: 38.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.26
ACD/KOC (pH 5.5): 968.67
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.26
ACD/KOC (pH 7.4): 968.67
Polar Surface Area: 0 Å2
Polarizability: 15.2±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 120.6±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement