ChemSpider 2D Image | 2,2'-{(1R,2S)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}diphenol | C20H22N2O2

2,2'-{(1R,2S)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}diphenol

  • Molecular FormulaC20H22N2O2
  • Average mass322.401 Da
  • Monoisotopic mass322.168121 Da
  • ChemSpider ID30657208

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,2'-{(1R,2S)-1,2-Cyclohexandiylbis[nitrilo(E)methylyliden]}diphenol [German] [ACD/IUPAC Name]
2,2'-{(1R,2S)-1,2-Cyclohexanediylbis[nitrilo(E)methylylidene]}diphenol [ACD/IUPAC Name]
2,2'-{(1R,2S)-1,2-Cyclohexanediylbis[nitrilo(E)méthylylidène]}diphénol [French] [ACD/IUPAC Name]
Phenol, 2,2'-[(1R,2S)-1,2-cyclohexanediylbis[nitrilo(E)methylidyne]]bis- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 515.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 345.3±19.4 °C
Index of Refraction: 1.612
Molar Refractivity: 94.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 114.54
ACD/KOC (pH 5.5): 588.52
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 197.97
ACD/KOC (pH 7.4): 1017.16
Polar Surface Area: 65 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 273.0±7.0 cm3

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