ChemSpider 2D Image | (1-~2~H_1_)Hexane | C6H13D

(1-2H1)Hexane

  • Molecular FormulaC6H13D
  • Average mass87.182 Da
  • Monoisotopic mass87.115829 Da
  • ChemSpider ID29333788

  • Non-standard isotope - Non-standard isotope

More details:

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

(1-2H1)Hexan [German] [ACD/IUPAC Name]
(1-2H1)Hexane [ACD/IUPAC Name]
(1-2H1)Hexane [French] [ACD/IUPAC Name]
Hexane-1-d [ACD/Index Name]
deuterohexane

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

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

Click to predict properties on the Chemicalize site


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