ChemSpider 2D Image | 1,1',1'',1''',1'''',1'''''-[1,2-Phenylenebis(methyleneoxy-2,1,1,1-ethanetetrayl)]hexakis(1H-pyrazole) | C30H30N12O2

1,1',1'',1''',1'''',1'''''-[1,2-Phenylenebis(methyleneoxy-2,1,1,1-ethanetetrayl)]hexakis(1H-pyrazole)

  • Molecular FormulaC30H30N12O2
  • Average mass590.638 Da
  • Monoisotopic mass590.261475 Da
  • ChemSpider ID30660928

More details:

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

1,1',1'',1''',1'''',1'''''-[1,2-Phenylenbis(methylenoxy-2,1,1,1-ethantetrayl)]hexakis(1H-pyrazol) [German] [ACD/IUPAC Name]
1,1',1'',1''',1'''',1'''''-[1,2-Phenylenebis(methyleneoxy-2,1,1,1-ethanetetrayl)]hexakis(1H-pyrazole) [ACD/IUPAC Name]
1,1',1'',1''',1'''',1'''''-[1,2-Phénylènebis(méthylèneoxy-2,1,1,1-éthanetétrayl)]hexakis(1H-pyrazole) [French] [ACD/IUPAC Name]
1H-Pyrazole, 1,1',1'',1''',1'''',1'''''-[1,2-phenylenebis(methyleneoxy-2-ethyl-1-ylidyne)]hexakis- [ACD/Index 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: 808.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 442.9±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 168.9±0.5 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 22560.67
ACD/KOC (pH 5.5): 45467.39
ACD/LogD (pH 7.4): 6.03
ACD/BCF (pH 7.4): 22563.40
ACD/KOC (pH 7.4): 45472.89
Polar Surface Area: 125 Å2
Polarizability: 66.9±0.5 10-24cm3
Surface Tension: 64.0±7.0 dyne/cm
Molar Volume: 431.6±7.0 cm3

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