Try beta.chemspider
1-Bromo-3-chlorobutane
CC(CCBr)Cl
InChI=1S/C4H8BrCl/c1-4(6)2-3-5/h4H,2-3H2,1H3
ZHTDTJPDPPKLTG-UHFFFAOYSA-N
CSID:11518226, http://www.chemspider.com/Chemical-Structure.11518226.html (accessed 14:50, 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) = 2.83 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 137.56 (Adapted Stein & Brown method) Melting Pt (deg C): -48.47 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.11 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 231.9 log Kow used: 2.83 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 505.28 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.00E-003 atm-m3/mole Group Method: 3.97E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.917E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.83 (KowWin est) Log Kaw used: -0.543 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.373 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5084 Biowin2 (Non-Linear Model) : 0.0033 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6760 (weeks-months) Biowin4 (Primary Survey Model) : 3.5351 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3484 Biowin6 (MITI Non-Linear Model): 0.0552 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9871 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): 872 Pa (6.54 mm Hg) Log Koa (Koawin est ): 3.373 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.44E-009 Octanol/air (Koa) model: 5.79E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.24E-007 Mackay model : 2.75E-007 Octanol/air (Koa) model: 4.64E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.4321 E-12 cm3/molecule-sec Half-Life = 7.469 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 89.628 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 124.9 Log Koc: 2.096 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.752E-007 L/mol-sec Kb Half-Life at pH 8: 7.980E+004 years Kb Half-Life at pH 7: 7.980E+005 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.479 (BCF = 30.13) log Kow used: 2.83 (estimated) Volatilization from Water: Henry LC: 0.000397 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.267 hours Half-Life from Model Lake : 145.4 hours (6.06 days) Removal In Wastewater Treatment: Total removal: 18.83 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.97 percent Total to Air: 14.76 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.69 179 1000 Water 16.4 900 1000 Soil 76.6 1.8e+003 1000 Sediment 0.259 8.1e+003 0 Persistence Time: 660 hr
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