ChemSpider 2D Image | 3-Ethynyl-5-(2-furylethynyl)benzoic acid | C15H8O3

3-Ethynyl-5-(2-furylethynyl)benzoic acid

  • Molecular FormulaC15H8O3
  • Average mass236.222 Da
  • Monoisotopic mass236.047348 Da
  • ChemSpider ID85367784

More details:

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

3-Ethinyl-5-(2-furylethinyl)benzoesäure [German] [ACD/IUPAC Name]
3-Ethynyl-5-(2-furylethynyl)benzoic acid [ACD/IUPAC Name]
Acide 3-éthynyl-5-(2-furyléthynyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-ethynyl-5-[2-(2-furanyl)ethynyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 455.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.4±3.0 kJ/mol
Flash Point: 229.4±28.7 °C
Index of Refraction: 1.652
Molar Refractivity: 64.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 7.62
ACD/KOC (pH 5.5): 46.21
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.57
Polar Surface Area: 50 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 176.5±5.0 cm3

Click to predict properties on the Chemicalize site


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