ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3-(dodecyloxy)-5,7-chromanediol | C27H38O6

2-(3,4-Dihydroxyphenyl)-3-(dodecyloxy)-5,7-chromanediol

  • Molecular FormulaC27H38O6
  • Average mass458.587 Da
  • Monoisotopic mass458.266846 Da
  • ChemSpider ID28423962

More details:

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

2-(3,4-Dihydroxyphenyl)-3-(dodecyloxy)-5,7-chromandiol [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3-(dodecyloxy)-5,7-chromanediol [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-3-(dodécyloxy)-5,7-chromanediol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-5,7-diol, 2-(3,4-dihydroxyphenyl)-3-(dodecyloxy)-3,4-dihydro- [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: 649.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 346.4±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 128.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 7.01
ACD/BCF (pH 5.5): 125287.16
ACD/KOC (pH 5.5): 155103.08
ACD/LogD (pH 7.4): 7.00
ACD/BCF (pH 7.4): 122237.90
ACD/KOC (pH 7.4): 151328.16
Polar Surface Area: 99 Å2
Polarizability: 50.9±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 375.9±5.0 cm3

Click to predict properties on the Chemicalize site


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