Try beta.chemspider
1,2-Dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane
C(C(F)(F)Cl)(OC(F)(F)F)(F)Cl
InChI=1S/C3Cl2F6O/c4-1(6,7)2(5,8)12-3(9,10)11
PIHHZNWHYDIJIP-UHFFFAOYSA-N
CSID:92851, http://www.chemspider.com/Chemical-Structure.92851.html (accessed 05:01, May 6, 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) = 3.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 40.93 (Adapted Stein & Brown method) Melting Pt (deg C): -73.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 417 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 70.58 log Kow used: 3.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 166.39 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.81E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.842E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.04 (KowWin est) Log Kaw used: -0.443 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.483 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.8237 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.3834 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7137 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2504 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1189 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): 5.53E+004 Pa (415 mm Hg) Log Koa (Koawin est ): 3.483 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.42E-011 Octanol/air (Koa) model: 7.46E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.96E-009 Mackay model : 4.34E-009 Octanol/air (Koa) model: 5.97E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.15E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 98.85 Log Koc: 1.995 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 = 1.642 (BCF = 43.82) log Kow used: 3.04 (estimated) Volatilization from Water: Henry LC: 0.00881 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.673 hours Half-Life from Model Lake : 147.3 hours (6.138 days) Removal In Wastewater Treatment: Total removal: 78.11 percent Total biodegradation: 0.05 percent Total sludge adsorption: 3.46 percent Total to Air: 74.60 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 30.9 1e+005 1000 Water 32.8 4.32e+003 1000 Soil 35.3 8.64e+003 1000 Sediment 1.02 3.89e+004 0 Persistence Time: 286 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight