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4-Ethoxy-1,4-dihydro-2,3-benzodioxin-1-ol
CCOC1c2ccccc2C(OO1)O
InChI=1S/C10H12O4/c1-2-12-10-8-6-4-3-5-7(8)9(11)13-14-10/h3-6,9-11H,2H2,1H3
HDKVEBPCOVXPRD-UHFFFAOYSA-N
CSID:111854, http://www.chemspider.com/Chemical-Structure.111854.html (accessed 17:56, Apr 26, 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) = 0.49 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 310.51 (Adapted Stein & Brown method) Melting Pt (deg C): 83.30 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.9E-005 (Modified Grain method) Subcooled liquid VP: 6.86E-005 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): 5.659e+004 log Kow used: 0.49 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 28868 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Peroxy Acids Benzyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.67E-011 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.668E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.49 (KowWin est) Log Kaw used: -8.824 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.314 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4655 Biowin2 (Non-Linear Model) : 0.1102 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9169 (weeks ) Biowin4 (Primary Survey Model) : 3.6844 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3542 Biowin6 (MITI Non-Linear Model): 0.3128 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3425 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): 0.00915 Pa (6.86E-005 mm Hg) Log Koa (Koawin est ): 9.314 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000328 Octanol/air (Koa) model: 0.000506 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0117 Mackay model : 0.0256 Octanol/air (Koa) model: 0.0389 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.5041 E-12 cm3/molecule-sec Half-Life = 0.351 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.208 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0186 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 29.46 Log Koc: 1.469 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 = 0.500 (BCF = 3.162) log Kow used: 0.49 (estimated) Volatilization from Water: Henry LC: 3.67E-011 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.235E+007 hours (9.311E+005 days) Half-Life from Model Lake : 2.438E+008 hours (1.016E+007 days) Removal In Wastewater Treatment: Total removal: 1.86 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 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 0.000859 8.41 1000 Water 37.4 360 1000 Soil 62.5 720 1000 Sediment 0.0705 3.24e+003 0 Persistence Time: 589 hr
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