ChemSpider 2D Image | 6,6,9-Trimethyl-3-[(2,2,3,3,4,4,5,5,5-~2~H_9_)pentyl]-6H-benzo[c]chromen-1-ol | C21H17D9O2

6,6,9-Trimethyl-3-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-6H-benzo[c]chromen-1-ol

  • Molecular FormulaC21H17D9O2
  • Average mass319.485 Da
  • Monoisotopic mass319.249756 Da
  • ChemSpider ID48058686

  • Non-standard isotope - Non-standard isotope

More details:

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

6,6,9-Trimethyl-3-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-6H-benzo[c]chromen-1-ol [German] [ACD/IUPAC Name]
6,6,9-Trimethyl-3-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-6H-benzo[c]chromen-1-ol [ACD/IUPAC Name]
6,6,9-Triméthyl-3-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]-6H-benzo[c]chromén-1-ol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-(pentyl-2,2,3,3,4,4,5,5,5-d9)- [ACD/Index Name]
1794964-01-4 [RN]
6,6,9-trimethyl-3-(2,2,3,3,4,4,5,5,5-nonadeuteriopentyl)benzo[c]chromen-1-ol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 476.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 212.7±19.9 °C
Index of Refraction: 1.562
Molar Refractivity: 94.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.35
ACD/LogD (pH 5.5): 6.80
ACD/BCF (pH 5.5): 86417.77
ACD/KOC (pH 5.5): 118900.68
ACD/LogD (pH 7.4): 6.79
ACD/BCF (pH 7.4): 85565.30
ACD/KOC (pH 7.4): 117727.79
Polar Surface Area: 29 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 292.6±3.0 cm3

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