ChemSpider 2D Image | (1,1,1,2,2,3,3,4,4,5,5-~2~H_11_)Hexane | C6H3D11

(1,1,1,2,2,3,3,4,4,5,5-2H11)Hexane

  • Molecular FormulaC6H3D11
  • Average mass97.243 Da
  • Monoisotopic mass97.178596 Da
  • ChemSpider ID28562387
  • Non-standard isotope - Non-standard isotope


More details:






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

(1,1,1,2,2,3,3,4,4,5,5-2H11)Hexan [German] [ACD/IUPAC Name]
(1,1,1,2,2,3,3,4,4,5,5-2H11)Hexane [ACD/IUPAC Name]
(1,1,1,2,2,3,3,4,4,5,5-2H11)Hexane [French] [ACD/IUPAC Name]
Hexane-1,1,1,2,2,3,3,4,4,5,5-d11 [ACD/Index Name]
153336-13-1 [RN]
1-Octan-d17-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.7±0.1 g/cm3
Boiling Point: 68.5±3.0 °C at 760 mmHg
Vapour Pressure: 150.9±0.1 mmHg at 25°C
Enthalpy of Vaporization: 28.9±0.0 kJ/mol
Flash Point: -23.3±0.0 °C
Index of Refraction: 1.384
Molar Refractivity: 29.8±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.64
ACD/BCF (pH 5.5): 344.21
ACD/KOC (pH 5.5): 2277.53
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 344.21
ACD/KOC (pH 7.4): 2277.53
Polar Surface Area: 0 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 20.3±3.0 dyne/cm
Molar Volume: 127.6±3.0 cm3

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