Try beta.chemspider
1,1,1,2,2,3,3,4,4-Nonafluoropentane
CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI=1S/C5H3F9/c1-2(6,7)3(8,9)4(10,11)5(12,13)14/h1H3
RGRJUIGTKHAMBM-UHFFFAOYSA-N
CSID:13341532, http://www.chemspider.com/Chemical-Structure.13341532.html (accessed 04:27, Jul 8, 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) = 4.64 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 5.98 (Adapted Stein & Brown method) Melting Pt (deg C): -111.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.46E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.5739 log Kow used: 4.64 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.46637 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.12E+002 atm-m3/mole Group Method: 1.02E+003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.079E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.64 (KowWin est) Log Kaw used: 3.661 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.979 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.4361 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5326 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7753 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3755 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.2462 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): 1.93E+005 Pa (1.45E+003 mm Hg) Log Koa (Koawin est ): 0.979 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.55E-011 Octanol/air (Koa) model: 2.34E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.6E-010 Mackay model : 1.24E-009 Octanol/air (Koa) model: 1.87E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0024 E-12 cm3/molecule-sec Half-Life = 4369.276 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.01E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4796 Log Koc: 3.681 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.157E-013 L/mol-sec Kb Half-Life at pH 8: 1.898E+011 years Kb Half-Life at pH 7: 1.898E+012 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.871 (BCF = 742.9) log Kow used: 4.64 (estimated) Volatilization from Water: Henry LC: 1.02E+003 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.561 hours Half-Life from Model Lake : 145.3 hours (6.055 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 100.00 percent Total biodegradation: 0.12 percent Total sludge adsorption: 38.01 percent Total to Air: 61.87 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 23.7 1.05e+005 1000 Water 24.3 4.32e+003 1000 Soil 0.189 8.64e+003 1000 Sediment 51.7 3.89e+004 0 Persistence Time: 373 hr
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