Try beta.chemspider
1,1'-[1-(2,2,2-Trifluoroethoxy)-1,1-ethanediyl]dibenzene
CC(c1ccccc1)(c2ccccc2)OCC(F)(F)F
InChI=1S/C16H15F3O/c1-15(20-12-16(17,18)19,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3
DAANLQSOVUWYDW-UHFFFAOYSA-N
CSID:540582, http://www.chemspider.com/Chemical-Structure.540582.html (accessed 12:06, May 8, 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) = 4.77 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 305.03 (Adapted Stein & Brown method) Melting Pt (deg C): 71.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000543 (Modified Grain method) Subcooled liquid VP: 0.00149 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.349 log Kow used: 4.77 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.3729 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.80E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.485E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.77 (KowWin est) Log Kaw used: -2.496 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.266 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1814 Biowin2 (Non-Linear Model) : 0.0003 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8900 (months ) Biowin4 (Primary Survey Model) : 3.0155 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1315 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3269 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): 0.199 Pa (0.00149 mm Hg) Log Koa (Koawin est ): 7.266 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.51E-005 Octanol/air (Koa) model: 4.53E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000545 Mackay model : 0.00121 Octanol/air (Koa) model: 0.000362 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.4720 E-12 cm3/molecule-sec Half-Life = 1.129 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.551 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000876 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.326E+004 Log Koc: 4.367 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 = 2.972 (BCF = 938.5) log Kow used: 4.77 (estimated) Volatilization from Water: Henry LC: 7.8E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 14.28 hours Half-Life from Model Lake : 296.1 hours (12.34 days) Removal In Wastewater Treatment: Total removal: 69.66 percent Total biodegradation: 0.61 percent Total sludge adsorption: 67.97 percent Total to Air: 1.08 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.643 27.1 1000 Water 8.42 1.44e+003 1000 Soil 75.5 2.88e+003 1000 Sediment 15.4 1.3e+004 0 Persistence Time: 1.83e+003 hr
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