ChemSpider 2D Image | (3S)-2,3-Dimethylpentane | C7H16

(3S)-2,3-Dimethylpentane

  • Molecular FormulaC7H16
  • Average mass100.202 Da
  • Monoisotopic mass100.125198 Da
  • ChemSpider ID18527723
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3S)-2,3-Dimethylpentan [German] [ACD/IUPAC Name]
(3S)-2,3-Dimethylpentane [ACD/IUPAC Name]
(3S)-2,3-Diméthylpentane [French] [ACD/IUPAC Name]
Pentane, 2,3-dimethyl-, (3S)- [ACD/Index Name]
209-280-0 [EINECS]

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

Density: 0.7±0.1 g/cm3
Boiling Point: 89.4±7.0 °C at 760 mmHg
Vapour Pressure: 66.2±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.5±0.0 kJ/mol
Flash Point: -6.7±0.0 °C
Index of Refraction: 1.391
Molar Refractivity: 34.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 373.98
ACD/KOC (pH 5.5): 2416.82
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 373.98
ACD/KOC (pH 7.4): 2416.82
Polar Surface Area: 0 Å2
Polarizability: 13.6±0.5 10-24cm3
Surface Tension: 19.8±3.0 dyne/cm
Molar Volume: 144.8±3.0 cm3

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