4,4,5,5-Tetrafluoro-2-(trifluoromethyl)-1,3-dioxolane
FC1(F)OC(OC1(F)F)C(F)(F)F
InChI=1S/C4HF7O2/c5-2(6,7)1-12-3(8,9)4(10,11)13-1/h1H
KUGVCGSOVLLILW-UHFFFAOYSA-N
CSID:9439361, http://www.chemspider.com/Chemical-Structure.9439361.html (accessed 00:06, Mar 29, 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) = 1.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 62.40 (Adapted Stein & Brown method) Melting Pt (deg C): -52.82 (Mean or Weighted MP) VP(mm Hg,25 deg C): 192 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1371 log Kow used: 1.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 392.55 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.65E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.944E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.68 (KowWin est) Log Kaw used: -0.826 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.506 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9374 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.7716 (months ) Biowin4 (Primary Survey Model) : 2.9382 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3476 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3074 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): 2.51E+004 Pa (188 mm Hg) Log Koa (Koawin est ): 2.506 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.2E-010 Octanol/air (Koa) model: 7.87E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.32E-009 Mackay model : 9.57E-009 Octanol/air (Koa) model: 6.3E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0035 E-12 cm3/molecule-sec Half-Life = 3033.338 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.95E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 11.28 Log Koc: 1.052 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 = 0.591 (BCF = 3.895) log Kow used: 1.68 (estimated) Volatilization from Water: Henry LC: 0.00365 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.728 hours Half-Life from Model Lake : 141.5 hours (5.897 days) Removal In Wastewater Treatment: Total removal: 59.64 percent Total biodegradation: 0.05 percent Total sludge adsorption: 1.01 percent Total to Air: 58.58 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 44.6 7.28e+004 1000 Water 46.2 1.44e+003 1000 Soil 9.03 2.88e+003 1000 Sediment 0.134 1.3e+004 0 Persistence Time: 193 hr
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