ChemSpider 2D Image | 3-Ethynylbenzenesulfonamide | C8H7NO2S

3-Ethynylbenzenesulfonamide

  • Molecular FormulaC8H7NO2S
  • Average mass181.212 Da
  • Monoisotopic mass181.019745 Da
  • ChemSpider ID25059041

More details:






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

3-Ethinylbenzolsulfonamid [German] [ACD/IUPAC Name]
3-Ethynylbenzenesulfonamide [ACD/IUPAC Name]
3-Éthynylbenzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 3-ethynyl- [ACD/Index Name]
1310456-99-5 [RN]
3-ethynylbenzene-1-sulfonamide
DA4
MFCD16877714

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

Density: 1.4±0.1 g/cm3
Boiling Point: 367.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.4±3.0 kJ/mol
Flash Point: 176.0±28.4 °C
Index of Refraction: 1.623
Molar Refractivity: 46.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.96
ACD/KOC (pH 5.5): 56.39
ACD/LogD (pH 7.4): 0.69
ACD/BCF (pH 7.4): 1.96
ACD/KOC (pH 7.4): 56.20
Polar Surface Area: 69 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 131.1±5.0 cm3

Click to predict properties on the Chemicalize site






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