3,6-Dihydro-1,2-dioxine
C1C=CCOO1
InChI=1S/C4H6O2/c1-2-4-6-5-3-1/h1-2H,3-4H2
JHUUPUMBZGWODW-UHFFFAOYSA-N
CSID:123836, http://www.chemspider.com/Chemical-Structure.123836.html (accessed 17:41, Dec 9, 2023)
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) = 1.38 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 105.90 (Adapted Stein & Brown method) Melting Pt (deg C): -62.31 (Mean or Weighted MP) VP(mm Hg,25 deg C): 33.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 8454 log Kow used: 1.38 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6213 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Peroxy Acids Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.49E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.542E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.38 (KowWin est) Log Kaw used: -1.215 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.595 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7066 Biowin2 (Non-Linear Model) : 0.8565 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0089 (weeks ) Biowin4 (Primary Survey Model) : 3.7235 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5079 Biowin6 (MITI Non-Linear Model): 0.6389 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4490 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): 4.28E+003 Pa (32.1 mm Hg) Log Koa (Koawin est ): 2.595 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.01E-010 Octanol/air (Koa) model: 9.66E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.53E-008 Mackay model : 5.61E-008 Octanol/air (Koa) model: 7.73E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 58.2680 E-12 cm3/molecule-sec Half-Life = 0.184 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.203 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 4.07E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 165.5 Log Koc: 2.219 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 = 0.361 (BCF = 2.298) log Kow used: 1.38 (estimated) Volatilization from Water: Henry LC: 0.00149 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.311 hours Half-Life from Model Lake : 92.11 hours (3.838 days) Removal In Wastewater Treatment: Total removal: 38.92 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.26 percent Total to Air: 37.59 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.2 1.05 1000 Water 71 360 1000 Soil 27.6 720 1000 Sediment 0.159 3.24e+003 0 Persistence Time: 95.9 hr
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