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2-Propeneperoxoic acid
C=CC(=O)OO
InChI=1S/C3H4O3/c1-2-3(4)6-5/h2,5H,1H2
AZIQALWHRUQPHV-UHFFFAOYSA-N
Date of deprecation: 13:33, Feb 22, 2024 Reason for deprecation: Deprecate record: Testing Bad record 2
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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) = -0.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 126.45 (Adapted Stein & Brown method) Melting Pt (deg C): -31.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 11.7 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5.178e+005 log Kow used: -0.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 84388 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Peroxy Acids Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.31E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.618E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.72 (KowWin est) Log Kaw used: -4.525 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.805 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7056 Biowin2 (Non-Linear Model) : 0.8530 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0046 (weeks ) Biowin4 (Primary Survey Model) : 3.7207 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4687 Biowin6 (MITI Non-Linear Model): 0.5172 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6155 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): 1.45E+003 Pa (10.9 mm Hg) Log Koa (Koawin est ): 3.805 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.06E-009 Octanol/air (Koa) model: 1.57E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 7.46E-008 Mackay model : 1.65E-007 Octanol/air (Koa) model: 1.25E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 13.2050 E-12 cm3/molecule-sec Half-Life = 0.810 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 9.720 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): 1.2E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8.254 Log Koc: 0.917 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.687E+001 L/mol-sec Kb Half-Life at pH 8: 4.108 hours Kb Half-Life at pH 7: 1.712 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.72 (estimated) Volatilization from Water: Henry LC: 7.31E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 752.6 hours (31.36 days) Half-Life from Model Lake : 8288 hours (345.3 days) Removal In Wastewater Treatment: Total removal: 1.89 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.89 17.3 1000 Water 46.9 360 1000 Soil 51.1 720 1000 Sediment 0.0859 3.24e+003 0 Persistence Time: 356 hr
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