Try beta.chemspider
1-Bromoundecane
CCCCCCCCCCCBr
InChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
IKPSIIAXIDAQLG-UHFFFAOYSA-N
CSID:12221, http://www.chemspider.com/Chemical-Structure.12221.html (accessed 23:01, 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) = 6.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 247.49 (Adapted Stein & Brown method) Melting Pt (deg C): 15.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0501 (Mean VP of Antoine & Grain methods) MP (exp database): -9 deg C BP (exp database): 137-138 @ 18 mm Hg deg C VP (exp database): 1.21E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.1806 log Kow used: 6.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.22929 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.44E-001 atm-m3/mole Group Method: 1.81E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.585E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.09 (KowWin est) Log Kaw used: 0.770 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.320 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6978 Biowin2 (Non-Linear Model) : 0.0507 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0067 (weeks ) Biowin4 (Primary Survey Model) : 3.8128 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6037 Biowin6 (MITI Non-Linear Model): 0.3761 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0578 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): 1.61 Pa (0.0121 mm Hg) Log Koa (Koawin est ): 5.320 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.86E-006 Octanol/air (Koa) model: 5.13E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.72E-005 Mackay model : 0.000149 Octanol/air (Koa) model: 4.1E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.0576 E-12 cm3/molecule-sec Half-Life = 0.887 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.645 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000108 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5864 Log Koc: 3.768 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.509E-009 L/mol-sec Kb Half-Life at pH 8: 1.456E+007 years Kb Half-Life at pH 7: 1.456E+008 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.487 (BCF = 306.9) log Kow used: 6.09 (estimated) Volatilization from Water: Henry LC: 0.181 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.57 hours Half-Life from Model Lake : 145.7 hours (6.072 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.93 percent Total biodegradation: 0.34 percent Total sludge adsorption: 67.80 percent Total to Air: 29.80 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.21 21.3 1000 Water 6.47 360 1000 Soil 39.3 720 1000 Sediment 53 3.24e+003 0 Persistence Time: 829 hr
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