ChemSpider 2D Image | (3R,4R)-3,4-Dimethylhexane | C8H18

(3R,4R)-3,4-Dimethylhexane

  • Molecular FormulaC8H18
  • Average mass114.229 Da
  • Monoisotopic mass114.140854 Da
  • ChemSpider ID23010009
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3R,4R)-3,4-Dimethylhexan [German] [ACD/IUPAC Name]
(3R,4R)-3,4-Dimethylhexane [ACD/IUPAC Name]
(3R,4R)-3,4-Diméthylhexane [French] [ACD/IUPAC Name]
Hexane, 3,4-dimethyl-, (3R,4R)- [ACD/Index Name]
Benzoic acid, 4-(aminomethyl)- (9CI)

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

Density: 0.7±0.1 g/cm3
Boiling Point: 116.6±7.0 °C at 760 mmHg
Vapour Pressure: 21.5±0.1 mmHg at 25°C
Enthalpy of Vaporization: 33.2±0.0 kJ/mol
Flash Point: 31.6±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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