ChemSpider 2D Image | MFCD00168154 | C22H24O2

MFCD00168154

  • Molecular FormulaC22H24O2
  • Average mass320.425 Da
  • Monoisotopic mass320.177643 Da
  • ChemSpider ID29367764

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4,4'-(1,3-Adamantanediyl)bisphenol
4,4'-(1,3-ADAMANTANEDIYL)DIPHENOL
4,4'-(1s,3s)-Tricyclo[3.3.1.13,7]decan-1,3-diyldiphenol [German] [ACD/IUPAC Name]
4,4'-(1s,3s)-Tricyclo[3.3.1.13,7]decane-1,3-diyldiphenol [ACD/IUPAC Name]
4,4'-(1s,3s)-Tricyclo[3.3.1.13,7]décane-1,3-diyldiphénol [French] [ACD/IUPAC Name]
MFCD00168154
Phenol, 4,4'-tricyclo[3.3.1.13,7]decane-1,3-diylbis- [ACD/Index Name]
1,3-Bis(4-hydroxyphenyl)adamantane
4,4-(1,3-ADAMANTANEDIYL)DIPHENOL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 501.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 231.6±24.7 °C
Index of Refraction: 1.667
Molar Refractivity: 94.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.46
ACD/LogD (pH 5.5): 5.19
ACD/BCF (pH 5.5): 5176.70
ACD/KOC (pH 5.5): 15852.72
ACD/LogD (pH 7.4): 5.19
ACD/BCF (pH 7.4): 5152.17
ACD/KOC (pH 7.4): 15777.60
Polar Surface Area: 40 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 64.7±3.0 dyne/cm
Molar Volume: 254.2±3.0 cm3

Click to predict properties on the Chemicalize site


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