Try beta.chemspider
2-(2-Bromoethyl)oxirane
C1C(O1)CCBr
InChI=1S/C4H7BrO/c5-2-1-4-3-6-4/h4H,1-3H2
ZKODPGZNBMIZFX-UHFFFAOYSA-N
CSID:90728, http://www.chemspider.com/Chemical-Structure.90728.html (accessed 10:01, 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) = 1.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 135.53 (Adapted Stein & Brown method) Melting Pt (deg C): -34.27 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.67 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7000 log Kow used: 1.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 15870 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.44E-005 atm-m3/mole Group Method: 3.30E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.745E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.21 (KowWin est) Log Kaw used: -3.001 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.211 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2821 Biowin2 (Non-Linear Model) : 0.0009 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8858 (weeks ) Biowin4 (Primary Survey Model) : 3.6555 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4921 Biowin6 (MITI Non-Linear Model): 0.1779 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9093 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): 1.19E+003 Pa (8.95 mm Hg) Log Koa (Koawin est ): 4.211 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.51E-009 Octanol/air (Koa) model: 3.99E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.08E-008 Mackay model : 2.01E-007 Octanol/air (Koa) model: 3.19E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.3484 E-12 cm3/molecule-sec Half-Life = 7.933 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 95.191 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.46E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.283 Log Koc: 0.918 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 2.978E-003 L/mol-sec Ka Half-Life at pH 7: 73.752 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.229 (BCF = 1.695) log Kow used: 1.21 (estimated) Volatilization from Water: Henry LC: 2.44E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 30.74 hours (1.281 days) Half-Life from Model Lake : 438.4 hours (18.27 days) Removal In Wastewater Treatment: Total removal: 3.22 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 1.33 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 8.4 190 1000 Water 39.8 360 1000 Soil 51.7 720 1000 Sediment 0.0841 3.24e+003 0 Persistence Time: 356 hr
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