ChemSpider 2D Image | 3,3'-(1,3-Phenylene)bis(2-propynal) | C12H6O2

3,3'-(1,3-Phenylene)bis(2-propynal)

  • Molecular FormulaC12H6O2
  • Average mass182.175 Da
  • Monoisotopic mass182.036774 Da
  • ChemSpider ID60821292

More details:

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

2-Propynal, 3,3'-(1,3-phenylene)bis- [ACD/Index Name]
3,3'-(1,3-Phenylen)bis(2-propinal) [German] [ACD/IUPAC Name]
3,3'-(1,3-Phenylene)bis(2-propynal) [ACD/IUPAC Name]
3,3'-(1,3-Phénylène)bis(2-propynal) [French] [ACD/IUPAC Name]
1514900-57-2 [RN]
MFCD24684208

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

Density: 1.2±0.1 g/cm3
Boiling Point: 397.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 167.5±8.8 °C
Index of Refraction: 1.602
Molar Refractivity: 51.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.52
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.48
ACD/KOC (pH 5.5): 754.08
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.48
ACD/KOC (pH 7.4): 754.08
Polar Surface Area: 34 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 149.4±5.0 cm3

Click to predict properties on the Chemicalize site


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