ChemSpider 2D Image | 4,4'-[(1E)-1-Penten-4-yne-1,5-diyl]di(1,2-benzenediol) | C17H14O4

4,4'-[(1E)-1-Penten-4-yne-1,5-diyl]di(1,2-benzenediol)

  • Molecular FormulaC17H14O4
  • Average mass282.291 Da
  • Monoisotopic mass282.089203 Da
  • ChemSpider ID115042697

More details:

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

1,2-Benzenediol, 4,4'-[(1E)-1-penten-4-yne-1,5-diyl]bis- [ACD/Index Name]
4,4'-[(1E)-1-Penten-4-in-1,5-diyl]di(1,2-benzoldiol) [German] [ACD/IUPAC Name]
4,4'-[(1E)-1-Penten-4-yne-1,5-diyl]di(1,2-benzenediol) [ACD/IUPAC Name]
4,4'-[(1E)-1-Pentén-4-yne-1,5-diyl]di(1,2-benzènediol) [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 572.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 277.8±24.7 °C
Index of Refraction: 1.731
Molar Refractivity: 78.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 2.92
ACD/BCF (pH 5.5): 97.39
ACD/KOC (pH 5.5): 922.43
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.07
ACD/KOC (pH 7.4): 891.01
Polar Surface Area: 81 Å2
Polarizability: 31.2±0.5 10-24cm3
Surface Tension: 88.3±5.0 dyne/cm
Molar Volume: 196.9±5.0 cm3

Click to predict properties on the Chemicalize site


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