Try beta.chemspider
Naphtho[2,3-d][1,3]dioxole
c1ccc2cc3c(cc2c1)OCO3
InChI=1S/C11H8O2/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1/h1-6H,7H2
NWRWWWMEZJKVCS-UHFFFAOYSA-N
CSID:88076, http://www.chemspider.com/Chemical-Structure.88076.html (accessed 15:12, Jul 27, 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) = 3.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 298.07 (Adapted Stein & Brown method) Melting Pt (deg C): 80.22 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.000643 (Modified Grain method) Subcooled liquid VP: 0.00216 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): 104.5 log Kow used: 3.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.2633 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.11E-007 atm-m3/mole Group Method: 4.88E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.394E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.23 (KowWin est) Log Kaw used: -4.602 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.832 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.9294 Biowin2 (Non-Linear Model) : 0.9937 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7024 (weeks-months) Biowin4 (Primary Survey Model) : 3.7536 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6594 Biowin6 (MITI Non-Linear Model): 0.7609 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4995 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): 0.288 Pa (0.00216 mm Hg) Log Koa (Koawin est ): 7.832 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.04E-005 Octanol/air (Koa) model: 1.67E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000376 Mackay model : 0.000833 Octanol/air (Koa) model: 0.00133 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 202.1878 E-12 cm3/molecule-sec Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.635 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000604 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 572.3 Log Koc: 2.758 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 = 1.788 (BCF = 61.35) log Kow used: 3.23 (estimated) Volatilization from Water: Henry LC: 0.00488 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.496 hours Half-Life from Model Lake : 126.4 hours (5.265 days) Removal In Wastewater Treatment: Total removal: 67.42 percent Total biodegradation: 0.07 percent Total sludge adsorption: 5.42 percent Total to Air: 61.93 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.468 1.27 1000 Water 27.2 900 1000 Soil 71.3 1.8e+003 1000 Sediment 1.05 8.1e+003 0 Persistence Time: 298 hr
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