ChemSpider 2D Image | 4-(3,5-Diethynylphenyl)-2-methylene-3-butynoic acid | C15H8O2

4-(3,5-Diethynylphenyl)-2-methylene-3-butynoic acid

  • Molecular FormulaC15H8O2
  • Average mass220.223 Da
  • Monoisotopic mass220.052429 Da
  • ChemSpider ID92054422

More details:

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

3-Butynoic acid, 4-(3,5-diethynylphenyl)-2-methylene- [ACD/Index Name]
4-(3,5-Diethinylphenyl)-2-methylen-3-butinsäure [German] [ACD/IUPAC Name]
4-(3,5-Diethynylphenyl)-2-methylene-3-butynoic acid [ACD/IUPAC Name]
Acide 4-(3,5-diéthynylphényl)-2-méthylène-3-butynoïque [French] [ACD/IUPAC 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: 443.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±3.0 kJ/mol
Flash Point: 198.8±23.4 °C
Index of Refraction: 1.621
Molar Refractivity: 63.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.24
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 179.8±5.0 cm3

Click to predict properties on the Chemicalize site


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