Try beta.chemspider
Bromocyclopropane
C1CC1Br
InChI=1S/C3H5Br/c4-3-1-2-3/h3H,1-2H2
LKXYJYDRLBPHRS-UHFFFAOYSA-N
CSID:70418, http://www.chemspider.com/Chemical-Structure.70418.html (accessed 10:51, May 11, 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) = 1.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 81.79 (Adapted Stein & Brown method) Melting Pt (deg C): -68.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 89.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2059 log Kow used: 1.97 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3740.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.60E-003 atm-m3/mole Group Method: 1.28E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.950E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.97 (KowWin est) Log Kaw used: -0.569 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.539 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6438 Biowin2 (Non-Linear Model) : 0.0410 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9608 (weeks ) Biowin4 (Primary Survey Model) : 3.7086 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5009 Biowin6 (MITI Non-Linear Model): 0.2352 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9946 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.16E+004 Pa (87.1 mm Hg) Log Koa (Koawin est ): 2.539 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.58E-010 Octanol/air (Koa) model: 8.49E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.33E-009 Mackay model : 2.07E-008 Octanol/air (Koa) model: 6.79E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0376 E-12 cm3/molecule-sec Half-Life = 284.661 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.5E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 42.71 Log Koc: 1.631 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.126E-012 L/mol-sec Kb Half-Life at pH 8: 4.285E+009 years Kb Half-Life at pH 7: 4.285E+010 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.819 (BCF = 6.587) log Kow used: 1.97 (estimated) Volatilization from Water: Henry LC: 0.00128 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.625 hours Half-Life from Model Lake : 110 hours (4.582 days) Removal In Wastewater Treatment: Total removal: 35.83 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.55 percent Total to Air: 34.21 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 35.6 6.83e+003 1000 Water 34.2 360 1000 Soil 30 720 1000 Sediment 0.117 3.24e+003 0 Persistence Time: 204 hr
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