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1,2-Dibromo-1,1,2,2-tetrafluoroethane
C(C(F)(F)Br)(F)(F)Br
InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8
KVBKAPANDHPRDG-UHFFFAOYSA-N
CSID:29041, http://www.chemspider.com/Chemical-Structure.29041.html (accessed 12:04, Apr 23, 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) = 2.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 93.18 (Adapted Stein & Brown method) Melting Pt (deg C): -46.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 339 (Mean VP of Antoine & Grain methods) MP (exp database): -110.4 deg C BP (exp database): 47.3 deg C VP (exp database): 3.25E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 11.19 log Kow used: 2.96 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 3 mg/L (25 deg C) Exper. Ref: HORVATH,AL ET AL. (1999) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 61.797 mg/L Wat Sol (Exper. database match) = 3.00 Exper. Ref: HORVATH,AL ET AL. (1999) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.62E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.036E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.96 (KowWin est) Log Kaw used: 0.821 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.139 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1637 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2587 (weeks-months) Biowin4 (Primary Survey Model) : 3.2368 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3374 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8858 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): 4.33E+004 Pa (325 mm Hg) Log Koa (Koawin est ): 2.139 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.92E-011 Octanol/air (Koa) model: 3.38E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.5E-009 Mackay model : 5.54E-009 Octanol/air (Koa) model: 2.7E-009 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): 4.02E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 224.7 Log Koc: 2.352 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 = 1.580 (BCF = 37.99) log Kow used: 2.96 (estimated) Volatilization from Water: Henry LC: 0.162 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.651 hours Half-Life from Model Lake : 153.2 hours (6.382 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.45 percent Total biodegradation: 0.02 percent Total sludge adsorption: 2.37 percent Total to Air: 96.06 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 50.2 1e+005 1000 Water 45.7 900 1000 Soil 3.12 1.8e+003 1000 Sediment 0.953 8.1e+003 0 Persistence Time: 171 hr
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