Try beta.chemspider
1-Bromo-1-methylcyclopropane
BrC1(C)CC1
InChI=1S/C4H7Br/c1-4(5)2-3-4/h2-3H2,1H3
FYNMAPJTGKYTHR-UHFFFAOYSA-N
CSID:10797577, http://www.chemspider.com/Chemical-Structure.10797577.html (accessed 01:10, May 3, 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) = 2.43 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 93.36 (Adapted Stein & Brown method) Melting Pt (deg C): -47.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 56.6 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 744.5 log Kow used: 2.43 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1780.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.76E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.350E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.43 (KowWin est) Log Kaw used: -0.446 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.876 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4532 Biowin2 (Non-Linear Model) : 0.0062 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7177 (weeks-months) Biowin4 (Primary Survey Model) : 3.5349 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5147 Biowin6 (MITI Non-Linear Model): 0.2618 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5413 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): 7.23E+003 Pa (54.2 mm Hg) Log Koa (Koawin est ): 2.876 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.15E-010 Octanol/air (Koa) model: 1.85E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.5E-008 Mackay model : 3.32E-008 Octanol/air (Koa) model: 1.48E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1820 E-12 cm3/molecule-sec Half-Life = 58.784 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.41E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 62.68 Log Koc: 1.797 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.258E-010 L/mol-sec Kb Half-Life at pH 8: 4.177E+007 years Kb Half-Life at pH 7: 4.177E+008 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.168 (BCF = 14.72) log Kow used: 2.43 (estimated) Volatilization from Water: Henry LC: 0.00876 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.263 hours Half-Life from Model Lake : 111.2 hours (4.634 days) Removal In Wastewater Treatment: Total removal: 77.65 percent Total biodegradation: 0.04 percent Total sludge adsorption: 1.32 percent Total to Air: 76.29 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 42.8 1.41e+003 1000 Water 42.5 900 1000 Soil 14.4 1.8e+003 1000 Sediment 0.307 8.1e+003 0 Persistence Time: 189 hr
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