Try beta.chemspider
1,1'-Dibromo-1,1'-bi(cyclopropyl)
BrC1(CC1)C2(Br)CC2
InChI=1S/C6H8Br2/c7-5(1-2-5)6(8)3-4-6/h1-4H2
KGQSDOBQCXXORQ-UHFFFAOYSA-N
CSID:9152746, http://www.chemspider.com/Chemical-Structure.9152746.html (accessed 02:04, Jul 2, 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) = 3.53 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 201.14 (Adapted Stein & Brown method) Melting Pt (deg C): 24.71 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.49 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 26.09 log Kow used: 3.53 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 103.19 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.84E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.929E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.53 (KowWin est) Log Kaw used: -1.494 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.024 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1731 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3026 (weeks-months) Biowin4 (Primary Survey Model) : 3.2654 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4060 Biowin6 (MITI Non-Linear Model): 0.0226 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4057 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): 60.1 Pa (0.451 mm Hg) Log Koa (Koawin est ): 5.024 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.99E-008 Octanol/air (Koa) model: 2.59E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.8E-006 Mackay model : 3.99E-006 Octanol/air (Koa) model: 2.08E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0919 E-12 cm3/molecule-sec Half-Life = 116.380 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.9E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 373.1 Log Koc: 2.572 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.220E-012 L/mol-sec Kb Half-Life at pH 8: 9.891E+009 years Kb Half-Life at pH 7: 9.891E+010 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.017 (BCF = 103.9) log Kow used: 3.53 (estimated) Volatilization from Water: Henry LC: 0.000784 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.737 hours Half-Life from Model Lake : 159.7 hours (6.656 days) Removal In Wastewater Treatment: Total removal: 34.09 percent Total biodegradation: 0.15 percent Total sludge adsorption: 12.02 percent Total to Air: 21.91 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.61 2.79e+003 1000 Water 11.2 900 1000 Soil 81.4 1.8e+003 1000 Sediment 0.868 8.1e+003 0 Persistence Time: 841 hr
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