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1,2-Dibromo-4,4-dimethylpentane
CC(C)(C)CC(CBr)Br
InChI=1S/C7H14Br2/c1-7(2,3)4-6(9)5-8/h6H,4-5H2,1-3H3
WFQMMFFMGBXAOE-UHFFFAOYSA-N
CSID:191716, http://www.chemspider.com/Chemical-Structure.191716.html (accessed 18:43, Apr 25, 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) = 4.28 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 203.38 (Adapted Stein & Brown method) Melting Pt (deg C): 3.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.44 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.71 log Kow used: 4.28 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23.958 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.35E-003 atm-m3/mole Group Method: 1.02E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.171E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.28 (KowWin est) Log Kaw used: -0.660 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.940 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3484 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4748 (weeks-months) Biowin4 (Primary Survey Model) : 3.3928 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2551 Biowin6 (MITI Non-Linear Model): 0.0080 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8674 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): 54.1 Pa (0.406 mm Hg) Log Koa (Koawin est ): 4.940 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.54E-008 Octanol/air (Koa) model: 2.14E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2E-006 Mackay model : 4.43E-006 Octanol/air (Koa) model: 1.71E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.4579 E-12 cm3/molecule-sec Half-Life = 7.336 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 88.037 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.22E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 532.4 Log Koc: 2.726 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.542E-003 L/mol-sec Kb Half-Life at pH 8: 8.640 years Kb Half-Life at pH 7: 86.400 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.597 (BCF = 395.1) log Kow used: 4.28 (estimated) Volatilization from Water: Henry LC: 0.00102 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 2.561 hours Half-Life from Model Lake : 162.6 hours (6.776 days) Removal In Wastewater Treatment: Total removal: 57.12 percent Total biodegradation: 0.35 percent Total sludge adsorption: 39.50 percent Total to Air: 17.27 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.82 176 1000 Water 9.02 900 1000 Soil 83.1 1.8e+003 1000 Sediment 4.08 8.1e+003 0 Persistence Time: 984 hr
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