Try beta.chemspider
2-(Dichloromethyl)-2-methyl-1,3-dioxolane
CC1(OCCO1)C(Cl)Cl
InChI=1S/C5H8Cl2O2/c1-5(4(6)7)8-2-3-9-5/h4H,2-3H2,1H3
OHXLAOJLJWLEIP-UHFFFAOYSA-N
CSID:103150, http://www.chemspider.com/Chemical-Structure.103150.html (accessed 02:47, Jul 2, 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) = 1.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 186.18 (Adapted Stein & Brown method) Melting Pt (deg C): 0.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.714 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2136 log Kow used: 1.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 14073 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.88E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.522E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.70 (KowWin est) Log Kaw used: -3.700 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.400 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.4353 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2454 (months ) Biowin4 (Primary Survey Model) : 3.2269 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2653 Biowin6 (MITI Non-Linear Model): 0.0426 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5274 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): 86.7 Pa (0.65 mm Hg) Log Koa (Koawin est ): 5.400 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.46E-008 Octanol/air (Koa) model: 6.17E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.25E-006 Mackay model : 2.77E-006 Octanol/air (Koa) model: 4.93E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.9270 E-12 cm3/molecule-sec Half-Life = 3.654 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 43.852 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.01E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.004 Log Koc: 0.302 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 = 0.611 (BCF = 4.086) log Kow used: 1.70 (estimated) Volatilization from Water: Henry LC: 4.88E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 158.2 hours (6.593 days) Half-Life from Model Lake : 1836 hours (76.49 days) Removal In Wastewater Treatment: Total removal: 2.32 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.95 percent Total to Air: 0.27 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.34 87.7 1000 Water 37.6 1.44e+003 1000 Soil 60 2.88e+003 1000 Sediment 0.11 1.3e+004 0 Persistence Time: 893 hr
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