ChemSpider 2D Image | 3-Ethynylbenzenethiol | C8H6S

3-Ethynylbenzenethiol

  • Molecular FormulaC8H6S
  • Average mass134.198 Da
  • Monoisotopic mass134.019012 Da
  • ChemSpider ID65426790

More details:

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

1638942-77-4 [RN]
3-Ethinylbenzolthiol [German] [ACD/IUPAC Name]
3-Ethynylbenzenethiol [ACD/IUPAC Name]
3-Éthynylbenzènethiol [French] [ACD/IUPAC Name]
Benzenethiol, 3-ethynyl- [ACD/Index Name]
3-ethynylbenzene-1-thiol
MFCD32761615

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

Density: 1.1±0.1 g/cm3
Boiling Point: 222.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.0±3.0 kJ/mol
Flash Point: 91.1±20.6 °C
Index of Refraction: 1.601
Molar Refractivity: 41.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 35.07
ACD/KOC (pH 5.5): 413.58
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.94
ACD/KOC (pH 7.4): 22.83
Polar Surface Area: 39 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 121.5±5.0 cm3

Click to predict properties on the Chemicalize site


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