ChemSpider 2D Image | (3S)-2,3-Dimethylhexane | C8H18

(3S)-2,3-Dimethylhexane

  • Molecular FormulaC8H18
  • Average mass114.229 Da
  • Monoisotopic mass114.140854 Da
  • ChemSpider ID21427474

More details:

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

(3S)-2,3-Dimethylhexan [German] [ACD/IUPAC Name]
(3S)-2,3-Dimethylhexane [ACD/IUPAC Name]
(3S)-2,3-Diméthylhexane [French] [ACD/IUPAC Name]
Hexane, 2,3-dimethyl-, (3S)- [ACD/Index Name]
584-94-1 [RN]

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

Density: 0.7±0.1 g/cm3
Boiling Point: 115.0±7.0 °C at 760 mmHg
Vapour Pressure: 23.1±0.1 mmHg at 25°C
Enthalpy of Vaporization: 33.2±0.0 kJ/mol
Flash Point: 29.7±7.9 °C
Index of Refraction: 1.399
Molar Refractivity: 39.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 677.91
ACD/KOC (pH 5.5): 3699.61
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 677.91
ACD/KOC (pH 7.4): 3699.61
Polar Surface Area: 0 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 21.0±3.0 dyne/cm
Molar Volume: 161.3±3.0 cm3

Click to predict properties on the Chemicalize site


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