ChemSpider 2D Image | 4-[(3-Ethynylphenyl)ethynyl]-1-benzothiophene | C18H10S

4-[(3-Ethynylphenyl)ethynyl]-1-benzothiophene

  • Molecular FormulaC18H10S
  • Average mass258.337 Da
  • Monoisotopic mass258.050323 Da
  • ChemSpider ID85821792

More details:

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

4-[(3-Ethinylphenyl)ethinyl]-1-benzothiophen [German] [ACD/IUPAC Name]
4-[(3-Ethynylphenyl)ethynyl]-1-benzothiophene [ACD/IUPAC Name]
4-[(3-Éthynylphényl)éthynyl]-1-benzothiophène [French] [ACD/IUPAC Name]
Benzo[b]thiophene, 4-[2-(3-ethynylphenyl)ethynyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 445.2±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 168.2±9.4 °C
Index of Refraction: 1.715
Molar Refractivity: 81.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.12
ACD/LogD (pH 5.5): 5.75
ACD/BCF (pH 5.5): 13753.05
ACD/KOC (pH 5.5): 31904.67
ACD/LogD (pH 7.4): 5.75
ACD/BCF (pH 7.4): 13753.05
ACD/KOC (pH 7.4): 31904.67
Polar Surface Area: 28 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 207.5±5.0 cm3

Click to predict properties on the Chemicalize site


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