Found 1 result

Search term: MF = 'C_{16}H_{13}F_{12}IO_{2}'
ChemSpider 2D Image | 2,2'-(5-tert-Butyl-2-iodo-1,3-phenylene)bis(1,1,1,3,3,3-hexafluoropropan-2-ol) | C16H13F12IO2

2,2'-(5-tert-Butyl-2-iodo-1,3-phenylene)bis(1,1,1,3,3,3-hexafluoropropan-2-ol)

  • Molecular FormulaC16H13F12IO2
  • Average mass592.159 Da
  • Monoisotopic mass591.976868 Da
  • ChemSpider ID110949

More details:

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

1,3-Benzenedimethanol, 5-(1,1-dimethylethyl)-2-iodo-α,α,α',α'-tetrakis(trifluoromethyl)- [ACD/Index Name]
2,2'-(5-tert-Butyl-2-iodo-1,3-phenylene)bis(1,1,1,3,3,3-hexafluoropropan-2-ol)
2,2'-[2-Iod-5-(2-methyl-2-propanyl)-1,3-phenylen]bis(1,1,1,3,3,3-hexafluor-2-propanol) [German] [ACD/IUPAC Name]
2,2'-[2-Iodo-5-(2-methyl-2-propanyl)-1,3-phenylene]bis(1,1,1,3,3,3-hexafluoro-2-propanol) [ACD/IUPAC Name]
2,2'-[2-Iodo-5-(2-méthyl-2-propanyl)-1,3-phénylène]bis(1,1,1,3,3,3-hexafluoro-2-propanol) [French] [ACD/IUPAC Name]
1,3-Benzenedimethanol,5-(1,1-dimethylethyl)-2-iodo-a1,a1,a3,a3-tetrakis(trifluoromethyl)-
101697-28-3 [RN]
4-tert-butyl-2,6-bis(1-hydroxy-1-(trifluoromethyl)-2,2,2-trifluoroethyl)iodobenzene
Tfm-tfe-IB

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

Density: 1.7±0.1 g/cm3
Boiling Point: 376.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 181.6±27.9 °C
Index of Refraction: 1.443
Molar Refractivity: 90.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.07
ACD/LogD (pH 5.5): 6.23
ACD/BCF (pH 5.5): 31770.79
ACD/KOC (pH 5.5): 58071.78
ACD/LogD (pH 7.4): 6.18
ACD/BCF (pH 7.4): 28600.32
ACD/KOC (pH 7.4): 52276.68
Polar Surface Area: 40 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 27.3±3.0 dyne/cm
Molar Volume: 339.1±3.0 cm3

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