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3-Chloro-2-(methoxymethoxy)-1-propene
COCOC(=C)CCl
InChI=1S/C5H9ClO2/c1-5(3-6)8-4-7-2/h1,3-4H2,2H3
JKHPOPCIKQQRPU-UHFFFAOYSA-N
CSID:8853641, http://www.chemspider.com/Chemical-Structure.8853641.html (accessed 08:02, May 13, 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) = 0.96 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 151.75 (Adapted Stein & Brown method) Melting Pt (deg C): -46.72 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.7 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.307e+004 log Kow used: 0.96 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 45944 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.86E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.087E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.96 (KowWin est) Log Kaw used: -2.119 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.079 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1236 Biowin2 (Non-Linear Model) : 0.0005 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7068 (weeks-months) Biowin4 (Primary Survey Model) : 3.5306 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4215 Biowin6 (MITI Non-Linear Model): 0.2083 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1323 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): 451 Pa (3.38 mm Hg) Log Koa (Koawin est ): 3.079 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.66E-009 Octanol/air (Koa) model: 2.94E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.4E-007 Mackay model : 5.33E-007 Octanol/air (Koa) model: 2.36E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 55.3862 E-12 cm3/molecule-sec Half-Life = 0.193 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.317 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.787500 E-17 cm3/molecule-sec Half-Life = 1.455 Days (at 7E11 mol/cm3) Half-Life = 34.926 Hrs Fraction sorbed to airborne particulates (phi): 3.86E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.317 Log Koc: 0.120 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.96 (estimated) Volatilization from Water: Henry LC: 0.000186 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.871 hours Half-Life from Model Lake : 151.1 hours (6.297 days) Removal In Wastewater Treatment: Total removal: 10.05 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.66 percent Total to Air: 8.30 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.56 4.09 1000 Water 55.8 900 1000 Soil 42.6 1.8e+003 1000 Sediment 0.117 8.1e+003 0 Persistence Time: 254 hr
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