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3-Chlorooxetane
C1C(CO1)Cl
InChI=1S/C3H5ClO/c4-3-1-5-2-3/h3H,1-2H2
JHXMBKTYQFGDQM-UHFFFAOYSA-N
CSID:10178932, http://www.chemspider.com/Chemical-Structure.10178932.html (accessed 03:08, Jul 5, 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) = 0.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 87.99 (Adapted Stein & Brown method) Melting Pt (deg C): -70.48 (Mean or Weighted MP) VP(mm Hg,25 deg C): 62.4 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 3.58e+004 log Kow used: 0.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0296e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.24E-005 atm-m3/mole Group Method: 1.81E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.122E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.63 (KowWin est) Log Kaw used: -3.038 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.668 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2447 Biowin2 (Non-Linear Model) : 0.0269 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8129 (weeks ) Biowin4 (Primary Survey Model) : 3.6039 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4913 Biowin6 (MITI Non-Linear Model): 0.3663 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3636 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): 8E+003 Pa (60 mm Hg) Log Koa (Koawin est ): 3.668 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.75E-010 Octanol/air (Koa) model: 1.14E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.35E-008 Mackay model : 3E-008 Octanol/air (Koa) model: 9.14E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.6218 E-12 cm3/molecule-sec Half-Life = 17.203 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.18E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.287 Log Koc: 0.632 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: 0.63 (estimated) Volatilization from Water: Henry LC: 2.24E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 26.12 hours (1.088 days) Half-Life from Model Lake : 365.6 hours (15.24 days) Removal In Wastewater Treatment: Total removal: 3.07 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 1.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 10.2 413 1000 Water 43.2 360 1000 Soil 46.5 720 1000 Sediment 0.0822 3.24e+003 0 Persistence Time: 345 hr
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