ChemSpider 2D Image | 5-Methyl-2-[(2,2,3,3,4,4,5,5,5-~2~H_9_)pentyl]phenol | C12H9D9O

5-Methyl-2-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]phenol

  • Molecular FormulaC12H9D9O
  • Average mass187.326 Da
  • Monoisotopic mass187.192261 Da
  • ChemSpider ID107437857

  • Non-standard isotope - Non-standard isotope

More details:

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

5-Methyl-2-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]phenol [German] [ACD/IUPAC Name]
5-Methyl-2-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]phenol [ACD/IUPAC Name]
5-Méthyl-2-[(2,2,3,3,4,4,5,5,5-2H9)pentyl]phénol [French] [ACD/IUPAC Name]
Phenol, 5-methyl-2-(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: 273.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.2±3.0 kJ/mol
Flash Point: 125.3±7.2 °C
Index of Refraction: 1.517
Molar Refractivity: 56.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1261.40
ACD/KOC (pH 5.5): 5770.16
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1260.51
ACD/KOC (pH 7.4): 5766.09
Polar Surface Area: 20 Å2
Polarizability: 22.4±0.5 10-24cm3
Surface Tension: 35.7±3.0 dyne/cm
Molar Volume: 186.5±3.0 cm3

Click to predict properties on the Chemicalize site


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