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1,2-bis($l^{1}-oxidanyl)ethane
C(C[O])[O]
InChI=1S/C2H4O2/c3-1-2-4/h1-2H2
MURXBMUMXOJVCR-UHFFFAOYSA-N
Date of deprecation: 16:01, Mar 10, 2014 Reason for deprecation: Deprecate record: strange oxidation state/valence on oxygens
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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) = -1.20 Log Kow (Exper. database match) = -1.36 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 153.53 (Adapted Stein & Brown method) Melting Pt (deg C): -31.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0609 (Mean VP of Antoine & Grain methods) MP (exp database): -13 deg C BP (exp database): 197.3 deg C VP (exp database): 9.20E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -1.36 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1e+006 mg/L ( deg C) Exper. Ref: RIDDICK,JA ET AL. (1986) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L Wat Sol (Exper. database match) = 1000000.00 Exper. Ref: RIDDICK,JA ET AL. (1986) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.31E-007 atm-m3/mole Group Method: 5.60E-011 atm-m3/mole Exper Database: 6.00E-08 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.974E-009 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.36 (exp database) Log Kaw used: -5.610 (exp database) Log Koa (KOAWIN v1.10 estimate): 4.250 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 1.0355 Biowin2 (Non-Linear Model) : 0.9874 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3819 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0171 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.9486 Biowin6 (MITI Non-Linear Model): 0.9734 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1536 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): 12.3 Pa (0.092 mm Hg) Log Koa (Koawin est ): 4.250 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.45E-007 Octanol/air (Koa) model: 4.37E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.83E-006 Mackay model : 1.96E-005 Octanol/air (Koa) model: 3.49E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.3217 E-12 cm3/molecule-sec Half-Life = 1.285 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.424 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.42E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1 Log Koc: 0.000 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: -1.36 (expkow database) Volatilization from Water: Henry LC: 6E-008 atm-m3/mole (Henry experimental database) Half-Life from Model River: 7689 hours (320.4 days) Half-Life from Model Lake : 8.394E+004 hours (3498 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 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 1.46 33.3 1000 Water 37 208 1000 Soil 61.4 416 1000 Sediment 0.0641 1.87e+003 0 Persistence Time: 325 hr
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