ChemSpider 2D Image | 5,5-Bis{[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]methyl}-1,3,2-dioxaphosphinan-2-ol 2-oxide | C21H17F26O4PS2

5,5-Bis{[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]methyl}-1,3,2-dioxaphosphinan-2-ol 2-oxide

  • Molecular FormulaC21H17F26O4PS2
  • Average mass922.419 Da
  • Monoisotopic mass921.989075 Da
  • ChemSpider ID73930335

More details:

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

1,3,2-Dioxaphosphorinane, 2-hydroxy-5,5-bis[[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)thio]methyl]-, 2-oxide [ACD/Index Name]
2-Oxyde de 5,5-bis{[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridécafluorooctyl)sulfanyl]méthyl}-1,3,2-dioxaphosphinan-2-ol [French] [ACD/IUPAC Name]
5,5-Bis{[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoroctyl)sulfanyl]methyl}-1,3,2-dioxaphosphinan-2-ol-2-oxid [German] [ACD/IUPAC Name]
5,5-Bis{[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfanyl]methyl}-1,3,2-dioxaphosphinan-2-ol 2-oxide [ACD/IUPAC Name]
6:2 FTMAP

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

Density: 1.7±0.1 g/cm3
Boiling Point: 492.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 83.1±6.0 kJ/mol
Flash Point: 251.4±31.5 °C
Index of Refraction: 1.384
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 20
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 116 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 28.2±5.0 dyne/cm
Molar Volume: 548.8±5.0 cm3

Click to predict properties on the Chemicalize site


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