Try beta.chemspider
1-(Dichloromethoxy)-1,1,2,3,3,3-hexafluoropropane
C(C(OC(Cl)Cl)(F)F)(C(F)(F)F)F
InChI=1S/C4H2Cl2F6O/c5-2(6)13-4(11,12)1(7)3(8,9)10/h1-2H
GZJFDMGJHHVNAC-UHFFFAOYSA-N
CSID:2059085, http://www.chemspider.com/Chemical-Structure.2059085.html (accessed 08:08, Apr 25, 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) = 2.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 88.55 (Adapted Stein & Brown method) Melting Pt (deg C): -69.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 61 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 96.52 log Kow used: 2.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 174.06 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.17E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.087E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.79 (KowWin est) Log Kaw used: -0.320 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.110 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.6464 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5645 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8469 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0397 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1164 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): 7.81E+003 Pa (58.6 mm Hg) Log Koa (Koawin est ): 3.110 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.84E-010 Octanol/air (Koa) model: 3.16E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.39E-008 Mackay model : 3.07E-008 Octanol/air (Koa) model: 2.53E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0563 E-12 cm3/molecule-sec Half-Life = 190.116 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.23E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 209.7 Log Koc: 2.322 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 = 1.450 (BCF = 28.15) log Kow used: 2.79 (estimated) Volatilization from Water: Henry LC: 0.0117 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.696 hours Half-Life from Model Lake : 151.3 hours (6.306 days) Removal In Wastewater Treatment: Total removal: 82.30 percent Total biodegradation: 0.04 percent Total sludge adsorption: 2.12 percent Total to Air: 80.14 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 38.6 4.56e+003 1000 Water 41 4.32e+003 1000 Soil 19.7 8.64e+003 1000 Sediment 0.692 3.89e+004 0 Persistence Time: 227 hr
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