ChemSpider 2D Image | 5-Butylcyclooctanethiol | C12H24S

5-Butylcyclooctanethiol

  • Molecular FormulaC12H24S
  • Average mass200.384 Da
  • Monoisotopic mass200.159866 Da
  • ChemSpider ID28589624

More details:

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

5-Butylcyclooctanethiol [ACD/IUPAC Name]
5-Butylcyclooctanethiol [French] [ACD/IUPAC Name]
5-Butylcyclooctanthiol [German] [ACD/IUPAC Name]
Cyclooctanethiol, 5-butyl- [ACD/Index Name]
5-Butylcyclooctane-1-thiol
827024-48-6 [RN]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 275.8±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.4±3.0 kJ/mol
Flash Point: 109.3±16.7 °C
Index of Refraction: 1.478
Molar Refractivity: 63.4±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.99
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 5470.74
ACD/KOC (pH 5.5): 16492.47
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5469.16
ACD/KOC (pH 7.4): 16487.69
Polar Surface Area: 39 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 31.5±5.0 dyne/cm
Molar Volume: 223.7±5.0 cm3

Click to predict properties on the Chemicalize site


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