Try beta.chemspider
1,1,1,2,2,3,4,4,4-Nonafluorobutane
C(C(C(F)(F)F)(F)F)(C(F)(F)F)F
InChI=1S/C4HF9/c5-1(3(8,9)10)2(6,7)4(11,12)13/h1H
QXIZXTKKSIAZOR-UHFFFAOYSA-N
CSID:2056130, http://www.chemspider.com/Chemical-Structure.2056130.html (accessed 03:07, Jul 2, 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) = 3.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -10.69 (Adapted Stein & Brown method) Melting Pt (deg C): -130.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.51E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.656 log Kow used: 3.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.0639 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.42E+001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.306E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.48 (KowWin est) Log Kaw used: 3.537 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): -0.057 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.5820 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4749 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8280 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2309 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3360 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): 3.25E+005 Pa (2.44E+003 mm Hg) Log Koa (Koawin est ): -0.057 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.22E-012 Octanol/air (Koa) model: 2.15E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.33E-010 Mackay model : 7.38E-010 Octanol/air (Koa) model: 1.72E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0002 E-12 cm3/molecule-sec Half-Life = 45894.480 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.35E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3143 Log Koc: 3.497 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.650E-004 L/mol-sec Kb Half-Life at pH 8: 82.879 years Kb Half-Life at pH 7: 828.786 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.979 (BCF = 95.31) log Kow used: 3.48 (estimated) Volatilization from Water: Henry LC: 84.2 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.514 hours Half-Life from Model Lake : 140.9 hours (5.871 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 100.00 percent Total biodegradation: 0.03 percent Total sludge adsorption: 6.61 percent Total to Air: 93.36 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 46.9 1.1e+006 1000 Water 47.8 4.32e+003 1000 Soil 0.368 8.64e+003 1000 Sediment 4.92 3.89e+004 0 Persistence Time: 191 hr
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