1,1,2,2,3,4,4,5-Octafluorocyclopentane
C1(C(C(C(C1(F)F)(F)F)F)(F)F)F
InChI=1S/C5H2F8/c6-1-3(8,9)2(7)5(12,13)4(1,10)11/h1-2H
WAECBMNQMWVHQC-UHFFFAOYSA-N
CSID:63075, http://www.chemspider.com/Chemical-Structure.63075.html (accessed 17:09, Mar 28, 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) = 2.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 43.43 (Adapted Stein & Brown method) Melting Pt (deg C): -72.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 391 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 49.7 log Kow used: 2.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.27 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.48E+001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.216E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.49 (KowWin est) Log Kaw used: 3.006 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): -0.516 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.0938 Biowin2 (Non-Linear Model) : 0.0055 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0898 (months ) Biowin4 (Primary Survey Model) : 3.0786 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4421 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0877 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): 5.19E+004 Pa (389 mm Hg) Log Koa (Koawin est ): -0.516 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.78E-011 Octanol/air (Koa) model: 7.48E-014 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.09E-009 Mackay model : 4.63E-009 Octanol/air (Koa) model: 5.99E-012 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0052 E-12 cm3/molecule-sec Half-Life = 2069.683 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.36E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3798 Log Koc: 3.580 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.366E-014 L/mol-sec Kb Half-Life at pH 8: 9.281E+011 years Kb Half-Life at pH 7: 9.281E+012 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.220 (BCF = 16.61) log Kow used: 2.49 (estimated) Volatilization from Water: Henry LC: 24.8 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.493 hours Half-Life from Model Lake : 139 hours (5.79 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.99 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.97 percent Total to Air: 99.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 50.7 4.97e+004 1000 Water 48.5 1.44e+003 1000 Soil 0.396 2.88e+003 1000 Sediment 0.408 1.3e+004 0 Persistence Time: 173 hr
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