8-Hydroxy-7H,10H-naphtho[1,8-gh]chromene-7,10-dione
O=C3c1cccc2cccc(c12)C=4OC(=O)/C=C(/O)\C3=4
InChI=1S/C16H8O4/c17-11-7-12(18)20-16-10-6-2-4-8-3-1-5-9(13(8)10)15(19)14(11)16/h1-7,17H
ANIISUBFFKXGHI-UHFFFAOYSA-N
CSID:10506323, http://www.chemspider.com/Chemical-Structure.10506323.html (accessed 12:49, Mar 28, 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) = 1.42 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 492.43 (Adapted Stein & Brown method) Melting Pt (deg C): 206.98 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.75E-012 (Modified Grain method) Subcooled liquid VP: 3.18E-010 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): 94.48 log Kow used: 1.42 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.1778 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.380E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9615 Biowin2 (Non-Linear Model) : 0.9820 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8929 (weeks ) Biowin4 (Primary Survey Model) : 3.8027 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6041 Biowin6 (MITI Non-Linear Model): 0.4826 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1027 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): 4.24E-008 Pa (3.18E-010 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 70.8 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: not available Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 52.3223 E-12 cm3/molecule-sec Half-Life = 0.204 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.453 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) 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 : 48.58 Log Koc: 1.686 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 = 0.390 (BCF = 2.455) log Kow used: 1.42 (estimated) Volatilization from Water: Henry LC: 1.38E-014 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 6.897E+010 hours (2.874E+009 days) Half-Life from Model Lake : 7.524E+011 hours (3.135E+010 days) Removal In Wastewater Treatment: Total removal: 1.95 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.86 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 0.00111 4.76 1000 Water 30.2 360 1000 Soil 69.8 720 1000 Sediment 0.0689 3.24e+003 0 Persistence Time: 643 hr
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