Methoxyethene
COC=C
InChI=1S/C3H6O/c1-3-4-2/h3H,1H2,2H3
XJRBAMWJDBPFIM-UHFFFAOYSA-N
CSID:7573, http://www.chemspider.com/Chemical-Structure.7573.html (accessed 10:52, Jun 4, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 18.61 (Adapted Stein & Brown method) Melting Pt (deg C): -115.96 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.48E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -122 deg C BP (exp database): 5.5 deg C VP (exp database): 1.32E+03 mm Hg at 20 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.985e+004 log Kow used: 0.42 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1.5e+004 mg/L (20 deg C) Exper. Ref: HORT,EV (1978) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.3277e+005 mg/L Wat Sol (Exper. database match) = 15000.00 Exper. Ref: HORT,EV (1978) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.73E-003 atm-m3/mole Group Method: 4.15E-003 atm-m3/mole Exper Database: 6.71E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.704E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.42 (KowWin est) Log Kaw used: -0.562 (exp database) Log Koa (KOAWIN v1.10 estimate): 0.982 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3725 Biowin2 (Non-Linear Model) : 0.2235 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0621 (weeks ) Biowin4 (Primary Survey Model) : 3.7542 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5598 Biowin6 (MITI Non-Linear Model): 0.6999 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2787 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.76E+005 Pa (1.32E+003 mm Hg) Log Koa (Koawin est ): 0.982 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.7E-011 Octanol/air (Koa) model: 2.36E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.16E-010 Mackay model : 1.36E-009 Octanol/air (Koa) model: 1.88E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 35.0196 E-12 cm3/molecule-sec Half-Life = 0.305 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.665 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.875000 E-17 cm3/molecule-sec Half-Life = 1.310 Days (at 7E11 mol/cm3) Half-Life = 31.433 Hrs Fraction sorbed to airborne particulates (phi): 9.9E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.383 Log Koc: 0.377 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: 0.42 (estimated) Volatilization from Water: Henry LC: 0.00671 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.8442 hours (50.65 min) Half-Life from Model Lake : 73.11 hours (3.046 days) Removal In Wastewater Treatment: Total removal: 72.67 percent Total biodegradation: 0.04 percent Total sludge adsorption: 0.67 percent Total to Air: 71.96 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 8.91 6.16 1000 Water 84.8 360 1000 Soil 6.1 720 1000 Sediment 0.159 3.24e+003 0 Persistence Time: 74.3 hr
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