1-Chloro-2-methoxyethane
COCCCl
InChI=1S/C3H7ClO/c1-5-3-2-4/h2-3H2,1H3
XTIGGAHUZJWQMD-UHFFFAOYSA-N
CSID:11812, http://www.chemspider.com/Chemical-Structure.11812.html (accessed 02:15, Apr 18, 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) = 0.81 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 89.28 (Adapted Stein & Brown method) Melting Pt (deg C): -79.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 51.6 (Mean VP of Antoine & Grain methods) BP (exp database): 92.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.454e+004 log Kow used: 0.81 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 8e+004 mg/L (25 deg C) Exper. Ref: BEILSTEIN Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 65604 mg/L Wat Sol (Exper. database match) = 80000.00 Exper. Ref: BEILSTEIN ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.03E-004 atm-m3/mole Group Method: 1.44E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.616E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.81 (KowWin est) Log Kaw used: -1.783 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.593 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2438 Biowin2 (Non-Linear Model) : 0.0262 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8084 (weeks ) Biowin4 (Primary Survey Model) : 3.6010 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5327 Biowin6 (MITI Non-Linear Model): 0.4821 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5366 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): 6.59E+003 Pa (49.4 mm Hg) Log Koa (Koawin est ): 2.593 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.55E-010 Octanol/air (Koa) model: 9.62E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.65E-008 Mackay model : 3.64E-008 Octanol/air (Koa) model: 7.69E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.4293 E-12 cm3/molecule-sec Half-Life = 3.119 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 37.428 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.64E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.395 Log Koc: 0.643 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: 0.81 (estimated) Volatilization from Water: Henry LC: 1.44E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 40.53 hours (1.689 days) Half-Life from Model Lake : 523.6 hours (21.82 days) Removal In Wastewater Treatment: Total removal: 2.66 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 percent Total to Air: 0.80 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.1 54.7 1000 Water 44.1 360 1000 Soil 50.7 720 1000 Sediment 0.0856 3.24e+003 0 Persistence Time: 341 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight