Try beta.chemspider
2,3-Dichlorooxanthrene
c1ccc2c(c1)Oc3cc(c(cc3O2)Cl)Cl
InChI=1S/C12H6Cl2O2/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H
YCIYTXRUZSDMRZ-UHFFFAOYSA-N
CSID:31828, http://www.chemspider.com/Chemical-Structure.31828.html (accessed 11:29, May 13, 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) = 5.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 341.68 (Adapted Stein & Brown method) Melting Pt (deg C): 112.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.93E-006 (Modified Grain method) MP (exp database): 163 deg C VP (exp database): 2.93E-06 mm Hg at 25 deg C Subcooled liquid VP: 6.79E-005 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.02743 log Kow used: 5.63 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 0.0149 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.072229 mg/L Wat Sol (Exper. database match) = 0.01 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.42E-006 atm-m3/mole Group Method: 4.88E-005 atm-m3/mole Exper Database: 6.55E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 9.627E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.63 (KowWin est) Log Kaw used: -2.572 (exp database) Log Koa (KOAWIN v1.10 estimate): 8.202 Log Koa (experimental database): 8.500 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5260 Biowin2 (Non-Linear Model) : 0.4702 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1104 (months ) Biowin4 (Primary Survey Model) : 3.3062 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4113 Biowin6 (MITI Non-Linear Model): 0.1356 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1850 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): 0.00905 Pa (6.79E-005 mm Hg) Log Koa (Exp database): 8.500 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000331 Octanol/air (Koa) model: 7.76E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0118 Mackay model : 0.0258 Octanol/air (Koa) model: 0.00617 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.8438 E-12 cm3/molecule-sec Half-Life = 3.761 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 45.135 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0188 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5.463E+004 Log Koc: 4.737 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 = 3.636 (BCF = 4321) log Kow used: 5.63 (estimated) Volatilization from Water: Henry LC: 6.55E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 15.84 hours Half-Life from Model Lake : 306.2 hours (12.76 days) Removal In Wastewater Treatment: Total removal: 89.75 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.84 percent Total to Air: 0.16 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.702 90.3 1000 Water 4.3 1.44e+003 1000 Soil 48.1 2.88e+003 1000 Sediment 46.9 1.3e+004 0 Persistence Time: 2.96e+003 hr
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