10-Hydroperoxydecanoic acid
C(CCCCC(=O)O)CCCCOO
InChI=1S/C10H20O4/c11-10(12)8-6-4-2-1-3-5-7-9-14-13/h13H,1-9H2,(H,11,12)
BLCYONKKJXYQHJ-UHFFFAOYSA-N
CSID:140732, http://www.chemspider.com/Chemical-Structure.140732.html (accessed 08:25, Apr 20, 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) = 2.76 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 337.02 (Adapted Stein & Brown method) Melting Pt (deg C): 111.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.72E-005 (Modified Grain method) Subcooled liquid VP: 0.000268 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): 454.6 log Kow used: 2.76 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 80.729 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Peroxy Acids-acid Surfactants-anionic-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.89E-010 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.199E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.76 (KowWin est) Log Kaw used: -7.699 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.459 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7230 Biowin2 (Non-Linear Model) : 0.6794 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1124 (weeks ) Biowin4 (Primary Survey Model) : 3.9386 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7303 Biowin6 (MITI Non-Linear Model): 0.8360 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.2568 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): 0.0357 Pa (0.000268 mm Hg) Log Koa (Koawin est ): 10.459 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.4E-005 Octanol/air (Koa) model: 0.00706 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00302 Mackay model : 0.00667 Octanol/air (Koa) model: 0.361 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.4218 E-12 cm3/molecule-sec Half-Life = 0.651 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.816 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00485 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 296.5 Log Koc: 2.472 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: 2.76 (estimated) Volatilization from Water: Henry LC: 4.89E-010 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.711E+006 hours (7.13E+004 days) Half-Life from Model Lake : 1.867E+007 hours (7.778E+005 days) Removal In Wastewater Treatment: Total removal: 4.10 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.99 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 0.00867 15.6 1000 Water 17.6 360 1000 Soil 82.2 720 1000 Sediment 0.19 3.24e+003 0 Persistence Time: 763 hr
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