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5,7-Dichloro-8-quinolinyl methyl carbonate
COC(=O)Oc1c(cc(c2c1nccc2)Cl)Cl
InChI=1S/C11H7Cl2NO3/c1-16-11(15)17-10-8(13)5-7(12)6-3-2-4-14-9(6)10/h2-5H,1H3
SOYZIZKMMHJMAI-UHFFFAOYSA-N
CSID:167448, http://www.chemspider.com/Chemical-Structure.167448.html (accessed 17:20, Apr 26, 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) = 2.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 370.61 (Adapted Stein & Brown method) Melting Pt (deg C): 118.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.03E-006 (Modified Grain method) Subcooled liquid VP: 4.26E-005 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): 60.64 log Kow used: 2.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 433.87 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.61E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.970E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.89 (KowWin est) Log Kaw used: -6.182 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.072 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2532 Biowin2 (Non-Linear Model) : 0.0075 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1847 (months ) Biowin4 (Primary Survey Model) : 3.1245 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0517 Biowin6 (MITI Non-Linear Model): 0.0051 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.4298 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): 0.00568 Pa (4.26E-005 mm Hg) Log Koa (Koawin est ): 9.072 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000528 Octanol/air (Koa) model: 0.00029 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0187 Mackay model : 0.0405 Octanol/air (Koa) model: 0.0227 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.2913 E-12 cm3/molecule-sec Half-Life = 4.668 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 56.018 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0296 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5578 Log Koc: 3.746 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 = 1.524 (BCF = 33.45) log Kow used: 2.89 (estimated) Volatilization from Water: Henry LC: 1.61E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.999E+004 hours (2499 days) Half-Life from Model Lake : 6.545E+005 hours (2.727E+004 days) Removal In Wastewater Treatment: Total removal: 4.86 percent Total biodegradation: 0.12 percent Total sludge adsorption: 4.74 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.079 112 1000 Water 11.6 1.44e+003 1000 Soil 88.1 2.88e+003 1000 Sediment 0.225 1.3e+004 0 Persistence Time: 2.52e+003 hr
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