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Bromo(isopropenyl)magnesium
CC(=C)[Mg]Br
InChI=1S/C3H5.BrH.Mg/c1-3-2;;/h1H2,2H3;1H;/q;;+1/p-1
LFTYALBVGVNGLI-UHFFFAOYSA-M
CSID:10431185, http://www.chemspider.com/Chemical-Structure.10431185.html (accessed 00:04, Jul 7, 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) = 1.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 156.17 (Adapted Stein & Brown method) Melting Pt (deg C): -13.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6444 log Kow used: 1.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4762.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.157E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6784 Biowin2 (Non-Linear Model) : 0.7202 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8781 (weeks ) Biowin4 (Primary Survey Model) : 3.6381 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2927 Biowin6 (MITI Non-Linear Model): 0.1691 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6095 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): 477 Pa (3.58 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.28E-009 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.27E-007 Mackay model : 5.03E-007 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 51.5360 E-12 cm3/molecule-sec Half-Life = 0.208 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.491 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.137500 E-17 cm3/molecule-sec Half-Life = 1.007 Days (at 7E11 mol/cm3) Half-Life = 24.179 Hrs Fraction sorbed to airborne particulates (phi): 3.65E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 67.7 Log Koc: 1.831 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 = 0.284 (BCF = 1.923) log Kow used: 1.28 (estimated) Volatilization from Water: Henry LC: 0.000116 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 7.33 hours Half-Life from Model Lake : 181 hours (7.543 days) Removal In Wastewater Treatment: Total removal: 7.38 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.74 percent Total to Air: 5.55 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.3 4.13 1000 Water 44.5 360 1000 Soil 54.2 720 1000 Sediment 0.096 3.24e+003 0 Persistence Time: 242 hr
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