1,6-Dibromohexane
C(CCCBr)CCBr
InChI=1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2
SGRHVVLXEBNBDV-UHFFFAOYSA-N
CSID:11862, http://www.chemspider.com/Chemical-Structure.11862.html (accessed 03:19, 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) = 3.97 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 215.11 (Adapted Stein & Brown method) Melting Pt (deg C): 7.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0555 (Mean VP of Antoine & Grain methods) MP (exp database): -2.3 deg C BP (exp database): 245.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 10.29 log Kow used: 3.98 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 18.914 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.03E-003 atm-m3/mole Group Method: 6.14E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.731E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.97 (KowWin est) Log Kaw used: -0.783 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.753 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5391 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7179 (weeks-months) Biowin4 (Primary Survey Model) : 3.5665 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4763 Biowin6 (MITI Non-Linear Model): 0.0451 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.7102 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): 7.17 Pa (0.0538 mm Hg) Log Koa (Koawin est ): 4.753 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.18E-007 Octanol/air (Koa) model: 1.39E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.51E-005 Mackay model : 3.35E-005 Octanol/air (Koa) model: 1.11E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.5264 E-12 cm3/molecule-sec Half-Life = 2.363 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 28.357 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.43E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 506.7 Log Koc: 2.705 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.176E-009 L/mol-sec Kb Half-Life at pH 8: 6.915E+006 years Kb Half-Life at pH 7: 6.915E+007 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.361 (BCF = 229.5) log Kow used: 3.98 (estimated) Volatilization from Water: Henry LC: 0.000614 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.083 hours Half-Life from Model Lake : 164.6 hours (6.859 days) Removal In Wastewater Treatment: Total removal: 41.62 percent Total biodegradation: 0.26 percent Total sludge adsorption: 26.13 percent Total to Air: 15.23 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.48 56.7 1000 Water 10.1 900 1000 Soil 85.2 1.8e+003 1000 Sediment 2.21 8.1e+003 0 Persistence Time: 943 hr
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