Try beta.chemspider
1,4-Bis(1,1,2,2-tetrafluoroethoxy)benzene
c1cc(ccc1OC(C(F)F)(F)F)OC(C(F)F)(F)F
InChI=1S/C10H6F8O2/c11-7(12)9(15,16)19-5-1-2-6(4-3-5)20-10(17,18)8(13)14/h1-4,7-8H
SYMFAUQESLPCRO-UHFFFAOYSA-N
CSID:2062619, http://www.chemspider.com/Chemical-Structure.2062619.html (accessed 11:47, Aug 1, 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) = 4.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 183.72 (Adapted Stein & Brown method) Melting Pt (deg C): -7.06 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.806 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.8475 log Kow used: 4.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.19455 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.16E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.881E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.80 (KowWin est) Log Kaw used: -0.477 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.277 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4959 Biowin2 (Non-Linear Model) : 0.4146 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9733 (months ) Biowin4 (Primary Survey Model) : 3.2476 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3857 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1898 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): 97.7 Pa (0.733 mm Hg) Log Koa (Koawin est ): 5.277 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.07E-008 Octanol/air (Koa) model: 4.65E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.11E-006 Mackay model : 2.46E-006 Octanol/air (Koa) model: 3.72E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.6018 E-12 cm3/molecule-sec Half-Life = 0.575 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.900 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.78E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.399E+004 Log Koc: 4.146 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.998 (BCF = 995.8) log Kow used: 4.80 (estimated) Volatilization from Water: Henry LC: 0.00816 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.923 hours Half-Life from Model Lake : 168.6 hours (7.027 days) Removal In Wastewater Treatment: Total removal: 87.43 percent Total biodegradation: 0.34 percent Total sludge adsorption: 54.18 percent Total to Air: 32.92 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.705 13.8 1000 Water 6.07 1.44e+003 1000 Soil 81.3 2.88e+003 1000 Sediment 11.9 1.3e+004 0 Persistence Time: 1.39e+003 hr
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