Try beta.chemspider
(1,4-Dibromobutyl)cyclopropane
C1CC1C(CCCBr)Br
InChI=1S/C7H12Br2/c8-5-1-2-7(9)6-3-4-6/h6-7H,1-5H2
VHXVANJGTFQCCP-UHFFFAOYSA-N
CSID:2286628, http://www.chemspider.com/Chemical-Structure.2286628.html (accessed 18:40, 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) = 4.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 225.87 (Adapted Stein & Brown method) Melting Pt (deg C): 18.13 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.148 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.599 log Kow used: 4.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15.488 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.36E-003 atm-m3/mole Group Method: 1.17E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.903E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.21 (KowWin est) Log Kaw used: -1.016 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.226 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5333 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6914 (weeks-months) Biowin4 (Primary Survey Model) : 3.5492 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2936 Biowin6 (MITI Non-Linear Model): 0.0116 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.2658 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): 18.5 Pa (0.139 mm Hg) Log Koa (Koawin est ): 5.226 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.62E-007 Octanol/air (Koa) model: 4.13E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.85E-006 Mackay model : 1.29E-005 Octanol/air (Koa) model: 3.3E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.2839 E-12 cm3/molecule-sec Half-Life = 4.683 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 56.198 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.4E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 856.1 Log Koc: 2.933 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.290E-008 L/mol-sec Kb Half-Life at pH 8: 1.702E+006 years Kb Half-Life at pH 7: 1.702E+007 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 2.539 (BCF = 346.1) log Kow used: 4.21 (estimated) Volatilization from Water: Henry LC: 0.000117 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 9.639 hours Half-Life from Model Lake : 239.3 hours (9.971 days) Removal In Wastewater Treatment: Total removal: 42.98 percent Total biodegradation: 0.39 percent Total sludge adsorption: 39.31 percent Total to Air: 3.29 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.5 112 1000 Water 12.3 900 1000 Soil 80.4 1.8e+003 1000 Sediment 4.75 8.1e+003 0 Persistence Time: 1.07e+003 hr
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