3-(2-Chloroethoxy)-1-propene
ClCCOC\C=C CopyCopied
InChI=1S/C5H9ClO/c1-2-4-7-5-3-6/h2H,1,3-5H2 CopyCopied
PZNYRERWHNMQFH-UHFFFAOYSA-N CopyCopied
Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts
1462-39-1 [RN]
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.66 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 134.64 (Adapted Stein & Brown method) Melting Pt (deg C): -55.85 (Mean or Weighted MP) VP(mm Hg,25 deg C): 8.12 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3834 log Kow used: 1.66 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7300.5 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 : 5.29E-004 atm-m3/mole Group Method: 1.99E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.360E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.66 (KowWin est) Log Kaw used: -1.665 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.325 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2314 Biowin2 (Non-Linear Model) : 0.0182 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7509 (weeks ) Biowin4 (Primary Survey Model) : 3.5634 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5228 Biowin6 (MITI Non-Linear Model): 0.4188 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4216 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): 999 Pa (7.49 mm Hg) Log Koa (Koawin est ): 3.325 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3E-009 Octanol/air (Koa) model: 5.19E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.09E-007 Mackay model : 2.4E-007 Octanol/air (Koa) model: 4.15E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.5273 E-12 cm3/molecule-sec Half-Life = 0.350 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.204 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 1.74E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.95 Log Koc: 1.175 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 = 0.577 (BCF = 3.772) log Kow used: 1.66 (estimated) Volatilization from Water: Henry LC: 1.99E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 33.43 hours (1.393 days) Half-Life from Model Lake : 456.7 hours (19.03 days) Removal In Wastewater Treatment: Total removal: 3.10 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.92 percent Total to Air: 1.09 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.89 6.15 1000 Water 36.4 360 1000 Soil 62.6 720 1000 Sediment 0.0952 3.24e+003 0 Persistence Time: 362 hr
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