ChemSpider 2D Image | (3S)-3-Heptanylbenzene | C13H20

(3S)-3-Heptanylbenzene

  • Molecular FormulaC13H20
  • Average mass176.298 Da
  • Monoisotopic mass176.156494 Da
  • ChemSpider ID75581885

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-Heptanylbenzene [ACD/IUPAC Name]
(3S)-3-Heptanylbenzène [French] [ACD/IUPAC Name]
(3S)-3-Heptanylbenzol [German] [ACD/IUPAC Name]
Benzene, [(1S)-1-ethylpentyl]- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 233.3±7.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.2 mmHg at 25°C
Enthalpy of Vaporization: 45.1±0.8 kJ/mol
Flash Point: 87.2±8.5 °C
Index of Refraction: 1.486
Molar Refractivity: 59.0±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2699.73
ACD/KOC (pH 5.5): 9947.97
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2699.73
ACD/KOC (pH 7.4): 9947.97
Polar Surface Area: 0 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 30.1±3.0 dyne/cm
Molar Volume: 205.5±3.0 cm3

Click to predict properties on the Chemicalize site


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