2-Bromobutane
CCC(C)Br
InChI=1S/C4H9Br/c1-3-4(2)5/h4H,3H2,1-2H3
UPSXAPQYNGXVBF-UHFFFAOYSA-N
CSID:6306, http://www.chemspider.com/Chemical-Structure.6306.html (accessed 15:42, Apr 18, 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) = 2.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 87.38 (Adapted Stein & Brown method) Melting Pt (deg C): -78.08 (Mean or Weighted MP) VP(mm Hg,25 deg C): 61.7 (Mean VP of Antoine & Grain methods) MP (exp database): -112 deg C BP (exp database): 91.2 deg C VP (exp database): 5.70E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 543.9 log Kow used: 2.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1285.6 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.99E-002 atm-m3/mole Group Method: 1.58E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.045E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.58 (KowWin est) Log Kaw used: -0.090 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.670 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6361 Biowin2 (Non-Linear Model) : 0.0329 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9253 (weeks ) Biowin4 (Primary Survey Model) : 3.6854 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4008 Biowin6 (MITI Non-Linear Model): 0.1656 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8962 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): 7.6E+003 Pa (57 mm Hg) Log Koa (Koawin est ): 2.670 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.95E-010 Octanol/air (Koa) model: 1.15E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.43E-008 Mackay model : 3.16E-008 Octanol/air (Koa) model: 9.19E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.3276 E-12 cm3/molecule-sec Half-Life = 8.057 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 96.678 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.29E-008 (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]: Total Kb for pH > 8 at 25 deg C : 1.418E-007 L/mol-sec Kb Half-Life at pH 8: 1.549E+005 years Kb Half-Life at pH 7: 1.549E+006 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.283 (BCF = 19.2) log Kow used: 2.58 (estimated) Volatilization from Water: Henry LC: 0.0158 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.238 hours Half-Life from Model Lake : 111.7 hours (4.652 days) Removal In Wastewater Treatment: Total removal: 86.15 percent Total biodegradation: 0.03 percent Total sludge adsorption: 1.43 percent Total to Air: 84.68 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 41.5 193 1000 Water 43.9 360 1000 Soil 14.3 720 1000 Sediment 0.348 3.24e+003 0 Persistence Time: 142 hr
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