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3-(4-Chloro-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one
Cc1cc(ccc1C2c3ccc4ccccc4c3C(=O)O2)Cl
InChI=1S/C19H13ClO2/c1-11-10-13(20)7-9-14(11)18-16-8-6-12-4-2-3-5-15(12)17(16)19(21)22-18/h2-10,18H,1H3
RLYURHIHTZRGEX-UHFFFAOYSA-N
CSID:327713, http://www.chemspider.com/Chemical-Structure.327713.html (accessed 20:18, May 2, 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) = 4.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 465.93 (Adapted Stein & Brown method) Melting Pt (deg C): 179.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.88E-009 (Modified Grain method) Subcooled liquid VP: 1.97E-007 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): 1.023 log Kow used: 4.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.019924 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.20E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.938E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.72 (KowWin est) Log Kaw used: -5.475 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.195 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6470 Biowin2 (Non-Linear Model) : 0.7799 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3756 (weeks-months) Biowin4 (Primary Survey Model) : 3.3974 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2491 Biowin6 (MITI Non-Linear Model): 0.0752 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5919 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): 2.63E-005 Pa (1.97E-007 mm Hg) Log Koa (Koawin est ): 10.195 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.114 Octanol/air (Koa) model: 0.00385 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.805 Mackay model : 0.901 Octanol/air (Koa) model: 0.235 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 29.0548 E-12 cm3/molecule-sec Half-Life = 0.368 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.418 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.853 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.466E+004 Log Koc: 4.976 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 = 2.932 (BCF = 854.3) log Kow used: 4.72 (estimated) Volatilization from Water: Henry LC: 8.2E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.255E+004 hours (522.8 days) Half-Life from Model Lake : 1.37E+005 hours (5710 days) Removal In Wastewater Treatment: Total removal: 66.90 percent Total biodegradation: 0.60 percent Total sludge adsorption: 66.29 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 0.191 8.83 1000 Water 12.3 900 1000 Soil 72.4 1.8e+003 1000 Sediment 15.1 8.1e+003 0 Persistence Time: 1.47e+003 hr
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