ChemSpider 2D Image | 3-[(2Z)-3-Methyl-2-penten-1-yl]-1,2-benzenediol | C12H16O2

3-[(2Z)-3-Methyl-2-penten-1-yl]-1,2-benzenediol

  • Molecular FormulaC12H16O2
  • Average mass192.254 Da
  • Monoisotopic mass192.115036 Da
  • ChemSpider ID26325942

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2-Benzenediol, 3-[(2Z)-3-methyl-2-penten-1-yl]- [ACD/Index Name]
3-[(2Z)-3-Methyl-2-penten-1-yl]-1,2-benzenediol [ACD/IUPAC Name]
3-[(2Z)-3-Méthyl-2-pentén-1-yl]-1,2-benzènediol [French] [ACD/IUPAC Name]
3-[(2Z)-3-Methyl-2-penten-1-yl]-1,2-benzoldiol [German] [ACD/IUPAC Name]
3-[(2z)-3-Methylpent-2-En-1-Yl]benzene-1,2-Diol

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

Density: 1.1±0.1 g/cm3
Boiling Point: 320.5±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.5±3.0 kJ/mol
Flash Point: 150.8±18.3 °C
Index of Refraction: 1.563
Molar Refractivity: 58.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 180.73
ACD/KOC (pH 5.5): 1436.05
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 179.51
ACD/KOC (pH 7.4): 1426.43
Polar Surface Area: 40 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 178.6±3.0 cm3

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