Try beta.chemspider
3,3,3',3',4,4,4',4'-Octafluoro-2,2'-dimethoxy-1,1'-bi(1-cyclobuten-1-yl)
FC2(F)C(\C1=C(/OC)C(F)(F)C1(F)F)=C(\OC)C2(F)F
InChI=1S/C10H6F8O2/c1-19-5-3(7(11,12)9(5,15)16)4-6(20-2)10(17,18)8(4,13)14/h1-2H3
FXCVKBNEHFJZGM-UHFFFAOYSA-N
CSID:8193811, http://www.chemspider.com/Chemical-Structure.8193811.html (accessed 11:10, Aug 1, 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) = 2.41 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 177.58 (Adapted Stein & Brown method) Melting Pt (deg C): 29.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.24 (Modified Grain method) Subcooled liquid VP: 1.35 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): 93.81 log Kow used: 2.41 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.2296 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.94E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.394E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.41 (KowWin est) Log Kaw used: 0.899 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.511 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.8305 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6480 (recalcitrant) Biowin4 (Primary Survey Model) : 2.7670 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2027 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1745 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): 180 Pa (1.35 mm Hg) Log Koa (Koawin est ): 1.511 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.67E-008 Octanol/air (Koa) model: 7.96E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.02E-007 Mackay model : 1.33E-006 Octanol/air (Koa) model: 6.37E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 153.4571 E-12 cm3/molecule-sec Half-Life = 0.070 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.836 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 48.600002 E-17 cm3/molecule-sec Half-Life = 0.024 Days (at 7E11 mol/cm3) Half-Life = 33.956 Min Fraction sorbed to airborne particulates (phi): 9.68E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 400.2 Log Koc: 2.602 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 = 1.155 (BCF = 14.29) log Kow used: 2.41 (estimated) Volatilization from Water: Henry LC: 0.194 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.802 hours Half-Life from Model Lake : 167.3 hours (6.972 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.69 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.87 percent Total to Air: 97.80 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.575 0.423 1000 Water 96.7 4.32e+003 1000 Soil 1.97 8.64e+003 1000 Sediment 0.736 3.89e+004 0 Persistence Time: 94.3 hr
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