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2-Butyl-2-(2,4-dichlorophenyl)oxirane
Clc1ccc(c(Cl)c1)C2(OC2)CCCC
InChI=1S/C12H14Cl2O/c1-2-3-6-12(8-15-12)10-5-4-9(13)7-11(10)14/h4-5,7H,2-3,6,8H2,1H3
SBPUYQOPWLYDBB-UHFFFAOYSA-N
CSID:9293420, http://www.chemspider.com/Chemical-Structure.9293420.html (accessed 20:40, May 9, 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) = 4.80 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 298.45 (Adapted Stein & Brown method) Melting Pt (deg C): 84.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000574 (Modified Grain method) Subcooled liquid VP: 0.00212 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.984 log Kow used: 4.80 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.949 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Epoxides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.65E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.332E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.80 (KowWin est) Log Kaw used: -3.171 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.971 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1569 Biowin2 (Non-Linear Model) : 0.0004 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3218 (weeks-months) Biowin4 (Primary Survey Model) : 3.2693 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2573 Biowin6 (MITI Non-Linear Model): 0.0577 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2856 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): 0.283 Pa (0.00212 mm Hg) Log Koa (Koawin est ): 7.971 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.06E-005 Octanol/air (Koa) model: 2.3E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000383 Mackay model : 0.000848 Octanol/air (Koa) model: 0.00183 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.3064 E-12 cm3/molecule-sec Half-Life = 1.288 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.452 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000616 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1498 Log Koc: 3.176 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Ka (acid-catalyzed) at 25 deg C : 1.812E+004 L/mol-sec Ka Half-Life at pH 7: 6.374 minutes Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.000 (BCF = 999.1) log Kow used: 4.80 (estimated) Volatilization from Water: Henry LC: 1.65E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 57.16 hours (2.381 days) Half-Life from Model Lake : 754.8 hours (31.45 days) Removal In Wastewater Treatment: Total removal: 70.49 percent Total biodegradation: 0.62 percent Total sludge adsorption: 69.63 percent Total to Air: 0.23 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.844 30.9 1000 Water 12.7 900 1000 Soil 67.7 1.8e+003 1000 Sediment 18.7 8.1e+003 0 Persistence Time: 1.28e+003 hr
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