ChemSpider 2D Image | (3R,4S)-3,4-Dimethylheptane | C9H20

(3R,4S)-3,4-Dimethylheptane

  • Molecular FormulaC9H20
  • Average mass128.255 Da
  • Monoisotopic mass128.156494 Da
  • ChemSpider ID64872733

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3,4-Dimethylheptan [German] [ACD/IUPAC Name]
(3R,4S)-3,4-Dimethylheptane [ACD/IUPAC Name]
(3R,4S)-3,4-Diméthylheptane [French] [ACD/IUPAC Name]
Heptane, 3,4-dimethyl-, (3R,4S)- [ACD/Index Name]

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

Density: 0.7±0.1 g/cm3
Boiling Point: 140.7±7.0 °C at 760 mmHg
Vapour Pressure: 7.6±0.1 mmHg at 25°C
Enthalpy of Vaporization: 36.2±0.8 kJ/mol
Flash Point: 60.0±7.9 °C
Index of Refraction: 1.406
Molar Refractivity: 43.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.17
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2658.46
ACD/KOC (pH 5.5): 9838.88
ACD/LogD (pH 7.4): 4.81
ACD/BCF (pH 7.4): 2658.46
ACD/KOC (pH 7.4): 9838.88
Polar Surface Area: 0 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 22.0±3.0 dyne/cm
Molar Volume: 177.9±3.0 cm3

Click to predict properties on the Chemicalize site


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