ChemSpider 2D Image | MFCD11045469 | C20H18

MFCD11045469

  • Molecular FormulaC20H18
  • Average mass258.357 Da
  • Monoisotopic mass258.140839 Da
  • ChemSpider ID22901069

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aR)-1,3a,4,6a-tetrahydro-3,6-diphenylpentalene
(3AR,6AR)-3,6-DIPHENYL-1,3A,4,6A-TETRAH
(3aR,6aR)-3,6-Diphenyl-1,3a,4,6a-tetrahydropentalen [German] [ACD/IUPAC Name]
(3aR,6aR)-3,6-Diphenyl-1,3a,4,6a-tetrahydropentalene [ACD/IUPAC Name]
(3aR,6aR)-3,6-Diphényl-1,3a,4,6a-tétrahydropentalène [French] [ACD/IUPAC Name]
947503-81-3 [RN]
MFCD11045469
Pentalene, 1,3a,4,6a-tetrahydro-3,6-diphenyl-, (3aR,6aR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 415.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 64.3±0.8 kJ/mol
Flash Point: 227.5±19.4 °C
Index of Refraction: 1.628
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10028.88
ACD/KOC (pH 5.5): 25449.89
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10028.88
ACD/KOC (pH 7.4): 25449.89
Polar Surface Area: 0 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 233.9±3.0 cm3

Click to predict properties on the Chemicalize site


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