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3-Chloro-2-methoxy-1-propene
COC(=C)CCl
InChI=1S/C4H7ClO/c1-4(3-5)6-2/h1,3H2,2H3
YHGBBOXHHMFPBY-UHFFFAOYSA-N
CSID:109583, http://www.chemspider.com/Chemical-Structure.109583.html (accessed 11:26, May 4, 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) = 1.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 105.03 (Adapted Stein & Brown method) Melting Pt (deg C): -77.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 30.2 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.008e+004 log Kow used: 1.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36510 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 : 3.16E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.200E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.22 (KowWin est) Log Kaw used: -0.889 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.109 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2381 Biowin2 (Non-Linear Model) : 0.0222 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7819 (weeks ) Biowin4 (Primary Survey Model) : 3.5837 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4599 Biowin6 (MITI Non-Linear Model): 0.3120 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3635 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): 3.8E+003 Pa (28.5 mm Hg) Log Koa (Koawin est ): 2.109 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.89E-010 Octanol/air (Koa) model: 3.16E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.85E-008 Mackay model : 6.32E-008 Octanol/air (Koa) model: 2.52E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 51.9677 E-12 cm3/molecule-sec Half-Life = 0.206 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.470 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): 4.58E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7.118 Log Koc: 0.852 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 = 0.242 (BCF = 1.745) log Kow used: 1.22 (estimated) Volatilization from Water: Henry LC: 0.00316 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.245 hours Half-Life from Model Lake : 100.1 hours (4.172 days) Removal In Wastewater Treatment: Total removal: 56.25 percent Total biodegradation: 0.05 percent Total sludge adsorption: 0.97 percent Total to Air: 55.23 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.76 4.33 1000 Water 79.4 360 1000 Soil 14.7 720 1000 Sediment 0.168 3.24e+003 0 Persistence Time: 81.5 hr
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