ChemSpider 2D Image | 3-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-5-[(2,2,3,3,4,4,5,5,5-~2~H_9_)pentyl]phenol | C21H23D9O2

3-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-5-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]phenol

  • Molecular FormulaC21H23D9O2
  • Average mass325.533 Da
  • Monoisotopic mass325.296722 Da
  • ChemSpider ID107435635

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

3-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-5-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]phenol [German] [ACD/IUPAC Name]
3-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-5-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]phenol [ACD/IUPAC Name]
3-{[(2E)-3,7-Diméthyl-2,6-octadién-1-yl]oxy}-5-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]phénol [French] [ACD/IUPAC Name]
Phenol, 3-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-5-(pentyl-2,2,3,3,4,4,5,5,5-d9)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 451.4±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 187.5±10.3 °C
Index of Refraction: 1.517
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.02
ACD/LogD (pH 5.5): 7.07
ACD/BCF (pH 5.5): 138120.09
ACD/KOC (pH 5.5): 166327.83
ACD/LogD (pH 7.4): 7.06
ACD/BCF (pH 7.4): 137407.67
ACD/KOC (pH 7.4): 165469.91
Polar Surface Area: 29 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 329.6±3.0 cm3

Click to predict properties on the Chemicalize site


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