2-Carboperoxybenzoic acid
c1ccc(c(c1)C(=O)O)C(=O)OO
InChI=1S/C8H6O5/c9-7(10)5-3-1-2-4-6(5)8(11)13-12/h1-4,12H,(H,9,10)
GLVYLTSKTCWWJR-UHFFFAOYSA-N
CSID:67866, http://www.chemspider.com/Chemical-Structure.67866.html (accessed 02:14, Nov 29, 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) = -0.08 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 342.63 (Adapted Stein & Brown method) Melting Pt (deg C): 123.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.06E-005 (Modified Grain method) Subcooled liquid VP: 0.000197 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): 6.294e+004 log Kow used: -0.08 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 31615 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Peroxy Acids-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.53E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.843E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.08 (KowWin est) Log Kaw used: -9.646 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 9.566 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8377 Biowin2 (Non-Linear Model) : 0.9450 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8845 (weeks ) Biowin4 (Primary Survey Model) : 3.5927 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5801 Biowin6 (MITI Non-Linear Model): 0.5481 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7199 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): 0.0263 Pa (0.000197 mm Hg) Log Koa (Koawin est ): 9.566 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000114 Octanol/air (Koa) model: 0.000904 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00411 Mackay model : 0.00905 Octanol/air (Koa) model: 0.0674 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.0049 E-12 cm3/molecule-sec Half-Life = 2.137 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.645 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00658 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 10 Log Koc: 1.000 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 7.253E+001 L/mol-sec Kb Half-Life at pH 8: 2.655 hours Kb Half-Life at pH 7: 1.106 days Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -0.08 (estimated) Volatilization from Water: Henry LC: 5.53E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.429E+008 hours (5.953E+006 days) Half-Life from Model Lake : 1.559E+009 hours (6.495E+007 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.76 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 0.00013 51.3 1000 Water 38.6 360 1000 Soil 61.4 720 1000 Sediment 0.0711 3.24e+003 0 Persistence Time: 582 hr
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