Try beta.chemspider
2,2'-Dibromo-3,3',4,4',5,5',6,6'-octafluorobiphenyl
c1(c(c(c(c(c1Br)F)F)F)F)c2c(c(c(c(c2Br)F)F)F)F
InChI=1S/C12Br2F8/c13-3-1(5(15)9(19)11(21)7(3)17)2-4(14)8(18)12(22)10(20)6(2)16
CZEFBGCEVOAASZ-UHFFFAOYSA-N
CSID:10323272, http://www.chemspider.com/Chemical-Structure.10323272.html (accessed 13:51, Jun 16, 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) = 7.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 323.32 (Adapted Stein & Brown method) Melting Pt (deg C): 110.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8E-005 (Modified Grain method) Subcooled liquid VP: 0.000561 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): 0.001091 log Kow used: 7.14 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.27495 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.26E-004 atm-m3/mole Group Method: 2.94E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.399E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.14 (KowWin est) Log Kaw used: -2.034 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.174 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -6.1701 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): -1.3359 (recalcitrant) Biowin4 (Primary Survey Model) : 2.9906 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1717 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 0.0748 Pa (0.000561 mm Hg) Log Koa (Koawin est ): 9.174 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.01E-005 Octanol/air (Koa) model: 0.000366 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00145 Mackay model : 0.0032 Octanol/air (Koa) model: 0.0285 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0689 E-12 cm3/molecule-sec Half-Life = 155.207 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00232 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.94E+005 Log Koc: 5.997 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 = 5.238 (BCF = 1.73e+005) log Kow used: 7.14 (estimated) Volatilization from Water: Henry LC: 0.294 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.183 hours Half-Life from Model Lake : 202.9 hours (8.452 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.62 percent Total biodegradation: 0.61 percent Total sludge adsorption: 83.69 percent Total to Air: 11.32 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.388 3.72e+003 1000 Water 0.832 4.32e+003 1000 Soil 38.8 8.64e+003 1000 Sediment 60 3.89e+004 0 Persistence Time: 9.71e+003 hr
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