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2,4-Dichlorophenyl ethyl carbonate
CCOC(=O)Oc1ccc(cc1Cl)Cl
InChI=1S/C9H8Cl2O3/c1-2-13-9(12)14-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3
FZPDXWVJKNHDOQ-UHFFFAOYSA-N
CSID:310343, http://www.chemspider.com/Chemical-Structure.310343.html (accessed 13:09, Apr 25, 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) = 3.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 300.71 (Adapted Stein & Brown method) Melting Pt (deg C): 28.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00175 (Modified Grain method) Subcooled liquid VP: 0.00188 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 49.79 log Kow used: 3.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 33.656 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.67E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.087E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.23 (KowWin est) Log Kaw used: -2.166 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.396 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2708 Biowin2 (Non-Linear Model) : 0.0126 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2665 (weeks-months) Biowin4 (Primary Survey Model) : 3.1779 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0996 Biowin6 (MITI Non-Linear Model): 0.0200 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3083 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): 0.251 Pa (0.00188 mm Hg) Log Koa (Koawin est ): 5.396 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.2E-005 Octanol/air (Koa) model: 6.11E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000432 Mackay model : 0.000957 Octanol/air (Koa) model: 4.89E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.3704 E-12 cm3/molecule-sec Half-Life = 4.512 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 54.148 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000694 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 889 Log Koc: 2.949 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 = 1.787 (BCF = 61.29) log Kow used: 3.23 (estimated) Volatilization from Water: Henry LC: 0.000167 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 6.94 hours Half-Life from Model Lake : 204.3 hours (8.511 days) Removal In Wastewater Treatment: Total removal: 14.94 percent Total biodegradation: 0.14 percent Total sludge adsorption: 7.74 percent Total to Air: 7.07 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.22 108 1000 Water 13.8 900 1000 Soil 82.4 1.8e+003 1000 Sediment 0.531 8.1e+003 0 Persistence Time: 917 hr
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