Try beta.chemspider
1,1,1,5,5,5-Hexafluoropentane
C(CC(F)(F)F)CC(F)(F)F
InChI=1S/C5H6F6/c6-4(7,8)2-1-3-5(9,10)11/h1-3H2
NZEXBCLLEJJKOM-UHFFFAOYSA-N
CSID:11194329, http://www.chemspider.com/Chemical-Structure.11194329.html (accessed 09:55, Jul 5, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 3.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 8.45 (Adapted Stein & Brown method) Melting Pt (deg C): -113.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.35E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7.94 log Kow used: 3.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.9564 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.42E+001 atm-m3/mole Group Method: 6.89E+000 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.268E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.63 (KowWin est) Log Kaw used: 2.764 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.866 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3790 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7753 (months ) Biowin4 (Primary Survey Model) : 3.0391 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4289 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9141 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.79E+005 Pa (1.34E+003 mm Hg) Log Koa (Koawin est ): 0.866 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.68E-011 Octanol/air (Koa) model: 1.8E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.06E-010 Mackay model : 1.34E-009 Octanol/air (Koa) model: 1.44E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.5762 E-12 cm3/molecule-sec Half-Life = 6.786 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 81.432 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.75E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1338 Log Koc: 3.126 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.913E-014 L/mol-sec Kb Half-Life at pH 8: 1.148E+012 years Kb Half-Life at pH 7: 1.148E+013 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.094 (BCF = 124.1) log Kow used: 3.63 (estimated) Volatilization from Water: Henry LC: 6.89 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.37 hours Half-Life from Model Lake : 127.5 hours (5.311 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.96 percent Total biodegradation: 0.04 percent Total sludge adsorption: 8.86 percent Total to Air: 91.07 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 39.3 163 1000 Water 53.6 1.44e+003 1000 Soil 0.751 2.88e+003 1000 Sediment 6.4 1.3e+004 0 Persistence Time: 156 hr
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