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1,1,2-Tribromo-3,3-dimethylbutane
CC(C)(C)C(C(Br)Br)Br
InChI=1S/C6H11Br3/c1-6(2,3)4(7)5(8)9/h4-5H,1-3H3
XTUBXYDXZYHKOM-UHFFFAOYSA-N
CSID:280630, http://www.chemspider.com/Chemical-Structure.280630.html (accessed 00:31, 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) = 4.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 234.55 (Adapted Stein & Brown method) Melting Pt (deg C): 29.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0832 (Modified Grain method) Subcooled liquid VP: 0.0915 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.069 log Kow used: 4.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 28.415 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.65E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.152E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.06 (KowWin est) Log Kaw used: -1.721 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.781 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2714 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3604 (weeks-months) Biowin4 (Primary Survey Model) : 3.3346 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0094 Biowin6 (MITI Non-Linear Model): 0.0003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0087 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): 12.2 Pa (0.0915 mm Hg) Log Koa (Koawin est ): 5.781 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.46E-007 Octanol/air (Koa) model: 1.48E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.88E-006 Mackay model : 1.97E-005 Octanol/air (Koa) model: 1.19E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.8791 E-12 cm3/molecule-sec Half-Life = 12.166 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.43E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 470.8 Log Koc: 2.673 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.558E+001 L/mol-sec Kb Half-Life at pH 8: 4.224 hours Kb Half-Life at pH 7: 1.760 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.427 (BCF = 267) log Kow used: 4.06 (estimated) Volatilization from Water: Henry LC: 0.000465 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.096 hours Half-Life from Model Lake : 195.4 hours (8.14 days) Removal In Wastewater Treatment: Total removal: 42.42 percent Total biodegradation: 0.30 percent Total sludge adsorption: 30.50 percent Total to Air: 11.62 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.08 292 1000 Water 10.1 900 1000 Soil 83.1 1.8e+003 1000 Sediment 2.73 8.1e+003 0 Persistence Time: 994 hr
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