1,1-Diethoxyethene
CCOC(=C)OCC
InChI=1S/C6H12O2/c1-4-7-6(3)8-5-2/h3-5H2,1-2H3
VTGIVYVOVVQLRL-UHFFFAOYSA-N
CSID:121332, http://www.chemspider.com/Chemical-Structure.121332.html (accessed 06:10, Mar 29, 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) = 1.20 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 113.56 (Adapted Stein & Brown method) Melting Pt (deg C): -67.20 (Mean or Weighted MP) VP(mm Hg,25 deg C): 24.6 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 9821 log Kow used: 1.20 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 36127 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.70E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.828E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.20 (KowWin est) Log Kaw used: -0.716 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.916 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0025 Biowin2 (Non-Linear Model) : 0.0041 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9251 (weeks ) Biowin4 (Primary Survey Model) : 3.6607 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4815 Biowin6 (MITI Non-Linear Model): 0.4782 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0674 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): 3.09E+003 Pa (23.2 mm Hg) Log Koa (Koawin est ): 1.916 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.7E-010 Octanol/air (Koa) model: 2.02E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.5E-008 Mackay model : 7.76E-008 Octanol/air (Koa) model: 1.62E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 99.2128 E-12 cm3/molecule-sec Half-Life = 0.108 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.294 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 4.375000 E-17 cm3/molecule-sec Half-Life = 0.262 Days (at 7E11 mol/cm3) Half-Life = 6.287 Hrs Fraction sorbed to airborne particulates (phi): 5.63E-008 (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 = 0.223 (BCF = 1.67) log Kow used: 1.20 (estimated) Volatilization from Water: Henry LC: 0.0047 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.234 hours Half-Life from Model Lake : 103.8 hours (4.326 days) Removal In Wastewater Treatment: Total removal: 65.31 percent Total biodegradation: 0.04 percent Total sludge adsorption: 0.82 percent Total to Air: 64.44 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.8 1.83 1000 Water 85.9 360 1000 Soil 11.2 720 1000 Sediment 0.181 3.24e+003 0 Persistence Time: 74.1 hr
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