2-(Bromomethyl)oxirane
C1C(O1)CBr
InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2
GKIPXFAANLTWBM-UHFFFAOYSA-N
CSID:17406, http://www.chemspider.com/Chemical-Structure.17406.html (accessed 05:18, Dec 6, 2023)
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) = 0.72 Log Kow (Exper. database match) = 0.85 Exper. Ref: Deneer,JW et al. (1988) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 112.43 (Adapted Stein & Brown method) Melting Pt (deg C): -46.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.9 (Mean VP of Antoine & Grain methods) MP (exp database): -40 deg C BP (exp database): 135 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.62e+004 log Kow used: 0.85 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 49574 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.84E-005 atm-m3/mole Group Method: 2.34E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.101E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.85 (exp database) Log Kaw used: -3.124 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.974 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2888 Biowin2 (Non-Linear Model) : 0.0011 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9167 (weeks ) Biowin4 (Primary Survey Model) : 3.6758 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4844 Biowin6 (MITI Non-Linear Model): 0.1743 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8833 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): 1.22E+003 Pa (9.16 mm Hg) Log Koa (Koawin est ): 3.974 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.46E-009 Octanol/air (Koa) model: 2.31E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.87E-008 Mackay model : 1.97E-007 Octanol/air (Koa) model: 1.85E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.4786 E-12 cm3/molecule-sec Half-Life = 22.350 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.43E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.491 Log Koc: 0.652 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 4.470E-004 L/mol-sec Ka Half-Life at pH 7: 491.396 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.85 (expkow database) Volatilization from Water: Henry LC: 1.84E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 38.44 hours (1.601 days) Half-Life from Model Lake : 517.4 hours (21.56 days) Removal In Wastewater Treatment: Total removal: 2.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 percent Total to Air: 1.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 9.81 536 1000 Water 42.1 360 1000 Soil 48 720 1000 Sediment 0.0822 3.24e+003 0 Persistence Time: 357 hr
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