ChemSpider 2D Image | (1R,7R)-4,10-Dioxatricyclo[5.2.1.0~2,6~]decane-3,5-dione | C8H8O4

(1R,7R)-4,10-Dioxatricyclo[5.2.1.02,6]decane-3,5-dione

  • Molecular FormulaC8H8O4
  • Average mass168.147 Da
  • Monoisotopic mass168.042252 Da
  • ChemSpider ID26563699

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1R,7R)-4,10-Dioxatricyclo[5.2.1.02,6]decan-3,5-dion [German] [ACD/IUPAC Name]
(1R,7R)-4,10-Dioxatricyclo[5.2.1.02,6]decane-3,5-dione [ACD/IUPAC Name]
(1R,7R)-4,10-Dioxatricyclo[5.2.1.02,6]décane-3,5-dione [French] [ACD/IUPAC Name]
4,7-Epoxyisobenzofuran-1,3-dione, hexahydro-, (4R,7R)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 362.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.8±3.0 kJ/mol
Flash Point: 167.0±26.0 °C
Index of Refraction: 1.550
Molar Refractivity: 36.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.42
ACD/LogD (pH 7.4): -0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.42
Polar Surface Area: 53 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 114.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement