6,10-Dihydroxy-1-methylbenzo[h]chromeno[5,4,3-cde]chromene-5,12-dione
Cc1ccc2c3c1c(=O)oc4c3c(c(c5c4c(ccc5)O)O)c(=O)o2
InChI=1S/C19H10O6/c1-7-5-6-10-13-11(7)18(22)25-17-12-8(3-2-4-9(12)20)16(21)15(14(13)17)19(23)24-10/h2-6,20-21H,1H3
UVQJAVUEWNSVSK-UHFFFAOYSA-N
CSID:4590070, http://www.chemspider.com/Chemical-Structure.4590070.html (accessed 01:26, Apr 19, 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) = 1.89 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 606.46 (Adapted Stein & Brown method) Melting Pt (deg C): 262.33 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.7E-016 (Modified Grain method) Subcooled liquid VP: 3.85E-013 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): 54.85 log Kow used: 1.89 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.7628 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Phenols Salicylates Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.10E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.779E-018 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.89 (KowWin est) Log Kaw used: -11.537 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.427 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.2231 Biowin2 (Non-Linear Model) : 0.9999 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7788 (weeks ) Biowin4 (Primary Survey Model) : 3.8342 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6161 Biowin6 (MITI Non-Linear Model): 0.4139 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4923 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.13E-011 Pa (3.85E-013 mm Hg) Log Koa (Koawin est ): 13.427 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.84E+004 Octanol/air (Koa) model: 6.56 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 0.998 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 159.0986 E-12 cm3/molecule-sec Half-Life = 0.067 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.807 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.392E+004 Log Koc: 4.379 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 = 0.758 (BCF = 5.731) log Kow used: 1.89 (estimated) Volatilization from Water: Henry LC: 7.1E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.508E+010 hours (6.282E+008 days) Half-Life from Model Lake : 1.645E+011 hours (6.853E+009 days) Removal In Wastewater Treatment: Total removal: 2.16 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.06 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 0.159 1.61 1000 Water 31.7 360 1000 Soil 68.1 720 1000 Sediment 0.0999 3.24e+003 0 Persistence Time: 438 hr
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