ChemSpider 2D Image | 4-[(4-Ethynylphenyl)ethynyl]benzoic acid | C17H10O2

4-[(4-Ethynylphenyl)ethynyl]benzoic acid

  • Molecular FormulaC17H10O2
  • Average mass246.260 Da
  • Monoisotopic mass246.068085 Da
  • ChemSpider ID28534918

More details:

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

4-[(4-Ethinylphenyl)ethinyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(4-Ethynylphenyl)ethynyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(4-éthynylphényl)éthynyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-(4-ethynylphenyl)ethynyl]- [ACD/Index Name]
[866825-55-0] [RN]
4-((4-Ethynylphenyl)ethynyl)benzoic acid
4-((4-Ethynylphenyl)ethynyl)benzoicacid
4-(4-ethynyl-phenylethynyl)-benzoic acid
4-[2-(4-ethynylphenyl)ethynyl]Benzoic acid
866825-55-0 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 428.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.1±3.0 kJ/mol
Flash Point: 196.1±19.2 °C
Index of Refraction: 1.665
Molar Refractivity: 72.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 35.80
ACD/KOC (pH 5.5): 166.44
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 6.03
Polar Surface Area: 37 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 194.1±5.0 cm3

Click to predict properties on the Chemicalize site


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