ChemSpider 2D Image | 5-Methyl-2-(~2~H_3_)methyl(1,1-~2~H_2_)-1,4-hexadien-3-ol | C8H9D5O

5-Methyl-2-(2H3)methyl(1,1-2H2)-1,4-hexadien-3-ol

  • Molecular FormulaC8H9D5O
  • Average mass131.227 Da
  • Monoisotopic mass131.135849 Da
  • ChemSpider ID8972078

  • Non-standard isotope - Non-standard isotope

More details:

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

1,4-Hexadien-1,1-d2-3-ol, 5-methyl-2-(methyl-d3)- [ACD/Index Name]
5-Methyl-2-(2H3)methyl(1,1-2H2)-1,4-hexadien-3-ol [ACD/IUPAC Name]
5-Methyl-2-(2H3)methyl(1,1-2H2)-1,4-hexadien-3-ol [German] [ACD/IUPAC Name]
5-Méthyl-2-(2H3)méthyl(1,1-2H2)-1,4-hexadién-3-ol [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 182.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.8 mmHg at 25°C
Enthalpy of Vaporization: 48.8±6.0 kJ/mol
Flash Point: 70.2±15.0 °C
Index of Refraction: 1.458
Molar Refractivity: 40.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.46
ACD/KOC (pH 5.5): 312.45
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.46
ACD/KOC (pH 7.4): 312.45
Polar Surface Area: 20 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 26.5±3.0 dyne/cm
Molar Volume: 146.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement