Bis(4-chlorophenyl)methanone
c1cc(ccc1C(=O)c2ccc(cc2)Cl)Cl
InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H
OKISUZLXOYGIFP-UHFFFAOYSA-N
CSID:6767, http://www.chemspider.com/Chemical-Structure.6767.html (accessed 05:58, Mar 30, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 4.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 342.22 (Adapted Stein & Brown method) Melting Pt (deg C): 107.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.39E-006 (Modified Grain method) MP (exp database): 147.5 deg C BP (exp database): 353 deg C Subcooled liquid VP: 0.000112 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): 3.796 log Kow used: 4.44 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 7.802 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.07E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.562E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.44 (KowWin est) Log Kaw used: -4.359 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.799 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2700 Biowin2 (Non-Linear Model) : 0.0064 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2086 (months ) Biowin4 (Primary Survey Model) : 3.1325 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1609 Biowin6 (MITI Non-Linear Model): 0.0333 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.1238 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): 0.0149 Pa (0.000112 mm Hg) Log Koa (Koawin est ): 8.799 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000201 Octanol/air (Koa) model: 0.000155 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0072 Mackay model : 0.0158 Octanol/air (Koa) model: 0.0122 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.5007 E-12 cm3/molecule-sec Half-Life = 4.277 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 51.325 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0115 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2826 Log Koc: 3.451 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 = 1.876 (BCF = 75.13) log Kow used: 4.44 (estimated) Volatilization from Water: Henry LC: 1.07E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 868.7 hours (36.2 days) Half-Life from Model Lake : 9610 hours (400.4 days) Removal In Wastewater Treatment: Total removal: 52.85 percent Total biodegradation: 0.50 percent Total sludge adsorption: 52.33 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.827 103 1000 Water 11.2 1.44e+003 1000 Soil 78.4 2.88e+003 1000 Sediment 9.59 1.3e+004 0 Persistence Time: 2e+003 hr
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