ChemSpider 2D Image | 2-Ethynyl-5-(4-methylphenyl)thiophene | C13H10S

2-Ethynyl-5-(4-methylphenyl)thiophene

  • Molecular FormulaC13H10S
  • Average mass198.283 Da
  • Monoisotopic mass198.050323 Da
  • ChemSpider ID112713605

More details:

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

2-Ethinyl-5-(4-methylphenyl)thiophen [German] [ACD/IUPAC Name]
2-Ethynyl-5-(4-methylphenyl)thiophene [ACD/IUPAC Name]
2-Éthynyl-5-(4-méthylphényl)thiophène [French] [ACD/IUPAC Name]
Thiophene, 2-ethynyl-5-(4-methylphenyl)- [ACD/Index Name]
2741515-96-6 [RN]
2-Ethynyl-5-(p-tolyl)thiophene

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

Density: 1.1±0.1 g/cm3
Boiling Point: 320.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.0±3.0 kJ/mol
Flash Point: 109.2±10.8 °C
Index of Refraction: 1.623
Molar Refractivity: 61.3±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 971.86
ACD/KOC (pH 5.5): 4787.70
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 971.86
ACD/KOC (pH 7.4): 4787.70
Polar Surface Area: 28 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 173.8±5.0 cm3

Click to predict properties on the Chemicalize site


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