ChemSpider 2D Image | [(1,1,1-~2~H_3_)-2-Heptanyloxy]benzene | C13H17D3O

[(1,1,1-2H3)-2-Heptanyloxy]benzene

  • Molecular FormulaC13H17D3O
  • Average mass195.316 Da
  • Monoisotopic mass195.170242 Da
  • ChemSpider ID8783269

  • Non-standard isotope - Non-standard isotope

More details:

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

[(1,1,1-2H3)-2-Heptanyloxy]benzene [ACD/IUPAC Name]
[(1,1,1-2H3)-2-Heptanyloxy]benzène [French] [ACD/IUPAC Name]
[(1,1,1-2H3)-2-Heptanyloxy]benzol [German] [ACD/IUPAC Name]
Benzene, [[1-(methyl-d3)hexyl]oxy]- [ACD/Index 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: 259.7±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 98.4±8.0 °C
Index of Refraction: 1.482
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2420.81
ACD/KOC (pH 5.5): 9201.00
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2420.81
ACD/KOC (pH 7.4): 9201.00
Polar Surface Area: 9 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 30.5±3.0 dyne/cm
Molar Volume: 212.9±3.0 cm3

Click to predict properties on the Chemicalize site


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