ChemSpider 2D Image | 1,1',1'',1''',1'''',1'''''-[(5-Iodo-1,3-phenylene)bis(methyleneoxy-2,1,1,1-ethanetetrayl)]hexakis(1H-pyrazole) | C30H29IN12O2

1,1',1'',1''',1'''',1'''''-[(5-Iodo-1,3-phenylene)bis(methyleneoxy-2,1,1,1-ethanetetrayl)]hexakis(1H-pyrazole)

  • Molecular FormulaC30H29IN12O2
  • Average mass716.535 Da
  • Monoisotopic mass716.158081 Da
  • ChemSpider ID21141827

More details:

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

1,1',1'',1''',1'''',1'''''-[(5-Iod-1,3-phenylen)bis(methylenoxy-2,1,1,1-ethantetrayl)]hexakis(1H-pyrazol) [German] [ACD/IUPAC Name]
1,1',1'',1''',1'''',1'''''-[(5-Iodo-1,3-phenylene)bis(methyleneoxy-2,1,1,1-ethanetetrayl)]hexakis(1H-pyrazole) [ACD/IUPAC Name]
1,1',1'',1''',1'''',1'''''-[(5-Iodo-1,3-phénylène)bis(méthylèneoxy-2,1,1,1-éthanetétrayl)]hexakis(1H-pyrazole) [French] [ACD/IUPAC Name]
1H-Pyrazole, 1,1',1'',1''',1'''',1'''''-[(5-iodo-1,3-phenylene)bis(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: 1.6±0.1 g/cm3
Boiling Point: 858.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 120.4±3.0 kJ/mol
Flash Point: 472.7±34.3 °C
Index of Refraction: 1.742
Molar Refractivity: 181.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 9.26
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 81026.94
ACD/KOC (pH 5.5): 113543.41
ACD/LogD (pH 7.4): 6.76
ACD/BCF (pH 7.4): 81036.55
ACD/KOC (pH 7.4): 113556.88
Polar Surface Area: 125 Å2
Polarizability: 72.0±0.5 10-24cm3
Surface Tension: 66.6±7.0 dyne/cm
Molar Volume: 449.1±7.0 cm3

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