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1-Bromo-2-(bromomethyl)cyclopentene
BrC/C1=C(\Br)CCC1
InChI=1S/C6H8Br2/c7-4-5-2-1-3-6(5)8/h1-4H2
BMGIOUNJDNGUIQ-UHFFFAOYSA-N
CSID:9462878, http://www.chemspider.com/Chemical-Structure.9462878.html (accessed 03:03, Jul 4, 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) = 3.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 226.53 (Adapted Stein & Brown method) Melting Pt (deg C): 31.68 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.117 (Modified Grain method) Subcooled liquid VP: 0.135 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): 16.74 log Kow used: 3.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 241.05 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.19E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.207E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.75 (KowWin est) Log Kaw used: -0.885 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.635 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5410 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7268 (weeks-months) Biowin4 (Primary Survey Model) : 3.5723 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3004 Biowin6 (MITI Non-Linear Model): 0.0124 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.2202 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): 18 Pa (0.135 mm Hg) Log Koa (Koawin est ): 4.635 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.67E-007 Octanol/air (Koa) model: 1.06E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.02E-006 Mackay model : 1.33E-005 Octanol/air (Koa) model: 8.47E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 31.2364 E-12 cm3/molecule-sec Half-Life = 0.342 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.109 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 12.421500 E-17 cm3/molecule-sec Half-Life = 0.092 Days (at 7E11 mol/cm3) Half-Life = 2.214 Hrs Fraction sorbed to airborne particulates (phi): 9.68E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 281.6 Log Koc: 2.450 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 = 2.190 (BCF = 155) log Kow used: 3.75 (estimated) Volatilization from Water: Henry LC: 0.00319 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.865 hours Half-Life from Model Lake : 150.2 hours (6.26 days) Removal In Wastewater Treatment: Total removal: 62.13 percent Total biodegradation: 0.14 percent Total sludge adsorption: 15.19 percent Total to Air: 46.80 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.253 1.74 1000 Water 13 900 1000 Soil 85 1.8e+003 1000 Sediment 1.71 8.1e+003 0 Persistence Time: 628 hr
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