1,1,1,3,3,3-Hexafluoro-2-methoxypropane
COC(C(F)(F)F)C(F)(F)F
InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3
VNXYDFNVQBICRO-UHFFFAOYSA-N
CSID:23989, http://www.chemspider.com/Chemical-Structure.23989.html (accessed 18:50, 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) = 1.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -7.07 (Adapted Stein & Brown method) Melting Pt (deg C): -120.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.24E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1540 log Kow used: 1.81 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 763.79 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.42E-002 atm-m3/mole Group Method: 9.09E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.182E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.81 (KowWin est) Log Kaw used: 0.586 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.224 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.7273 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7622 (months ) Biowin4 (Primary Survey Model) : 3.0265 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2260 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3334 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): 2.92E+005 Pa (2.19E+003 mm Hg) Log Koa (Koawin est ): 1.224 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.03E-011 Octanol/air (Koa) model: 4.11E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.71E-010 Mackay model : 8.22E-010 Octanol/air (Koa) model: 3.29E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1617 E-12 cm3/molecule-sec Half-Life = 66.165 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.97E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 71.52 Log Koc: 1.854 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 = 0.691 (BCF = 4.914) log Kow used: 1.81 (estimated) Volatilization from Water: Henry LC: 0.00909 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.464 hours Half-Life from Model Lake : 129.1 hours (5.38 days) Removal In Wastewater Treatment: Total removal: 78.19 percent Total biodegradation: 0.04 percent Total sludge adsorption: 0.76 percent Total to Air: 77.40 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 46.7 1.59e+003 1000 Water 48.1 1.44e+003 1000 Soil 5.03 2.88e+003 1000 Sediment 0.155 1.3e+004 0 Persistence Time: 179 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight