2,4-Dichlorophenyl methyl carbonate
COC(=O)Oc1ccc(cc1Cl)Cl
InChI=1S/C8H6Cl2O3/c1-12-8(11)13-7-3-2-5(9)4-6(7)10/h2-4H,1H3
AQBLBJCOTFGTKN-UHFFFAOYSA-N
CSID:191041, http://www.chemspider.com/Chemical-Structure.191041.html (accessed 09:30, 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) = 2.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 285.61 (Adapted Stein & Brown method) Melting Pt (deg C): 18.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00417 (Modified Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 155.6 log Kow used: 2.74 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 108.98 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.26E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.794E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.74 (KowWin est) Log Kaw used: -2.288 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.028 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2775 Biowin2 (Non-Linear Model) : 0.0154 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2975 (weeks-months) Biowin4 (Primary Survey Model) : 3.1981 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0920 Biowin6 (MITI Non-Linear Model): 0.0196 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3343 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): 0.556 Pa (0.00417 mm Hg) Log Koa (Koawin est ): 5.028 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.4E-006 Octanol/air (Koa) model: 2.62E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000195 Mackay model : 0.000431 Octanol/air (Koa) model: 2.09E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.9263 E-12 cm3/molecule-sec Half-Life = 11.547 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000313 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 482 Log Koc: 2.683 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 = 1.409 (BCF = 25.66) log Kow used: 2.74 (estimated) Volatilization from Water: Henry LC: 0.000126 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 8.426 hours Half-Life from Model Lake : 216.6 hours (9.024 days) Removal In Wastewater Treatment: Total removal: 9.68 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.74 percent Total to Air: 5.84 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.9 277 1000 Water 17.4 900 1000 Soil 77.4 1.8e+003 1000 Sediment 0.227 8.1e+003 0 Persistence Time: 820 hr
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