ChemSpider 2D Image | 1-ethynyl-3-methanesulfonylbenzene | C9H8O2S

1-ethynyl-3-methanesulfonylbenzene

  • Molecular FormulaC9H8O2S
  • Average mass180.224 Da
  • Monoisotopic mass180.024506 Da
  • ChemSpider ID58107839

More details:

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

1-Ethinyl-3-(methylsulfonyl)benzol [German] [ACD/IUPAC Name]
1-Ethynyl-3-(methylsulfonyl)benzene [ACD/IUPAC Name]
1-Éthynyl-3-(méthylsulfonyl)benzène [French] [ACD/IUPAC Name]
1-ethynyl-3-methanesulfonylbenzene
573982-84-0 [RN]
Benzene, 1-ethynyl-3-(methylsulfonyl)- [ACD/Index Name]
MFCD13189809

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

Density: 1.3±0.1 g/cm3
Boiling Point: 355.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 216.5±18.3 °C
Index of Refraction: 1.571
Molar Refractivity: 47.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.34
ACD/KOC (pH 5.5): 64.01
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.34
ACD/KOC (pH 7.4): 64.01
Polar Surface Area: 43 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 143.7±5.0 cm3

Click to predict properties on the Chemicalize site


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