ChemSpider 2D Image | 1,1'-(1,4-Phenylene)bis(2-propyn-1-one) | C12H6O2

1,1'-(1,4-Phenylene)bis(2-propyn-1-one)

  • Molecular FormulaC12H6O2
  • Average mass182.175 Da
  • Monoisotopic mass182.036774 Da
  • ChemSpider ID35801359

More details:






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

1,1'-(1,4-Phenylen)bis(2-propin-1-on) [German] [ACD/IUPAC Name]
1,1'-(1,4-Phenylene)bis(2-propyn-1-one) [ACD/IUPAC Name]
1,1'-(1,4-Phénylène)bis(2-propyn-1-one) [French] [ACD/IUPAC Name]
2-Propyn-1-one, 1,1'-(1,4-phenylene)bis- [ACD/Index Name]
1,1'-(1,4-Phenylene)di(prop-2-yn-1-one)
35487-33-3 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 345.1±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 141.6±16.3 °C
Index of Refraction: 1.584
Molar Refractivity: 51.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 16.94
ACD/KOC (pH 5.5): 263.82
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 16.94
ACD/KOC (pH 7.4): 263.82
Polar Surface Area: 34 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 153.0±3.0 cm3

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