Bis(2,4-dichlorophenyl)peroxyanhydride
c1cc(c(cc1Cl)Cl)C(=O)OOC(=O)c2ccc(cc2Cl)Cl
InChI=1S/C14H6Cl4O4/c15-7-1-3-9(11(17)5-7)13(19)21-22-14(20)10-4-2-8(16)6-12(10)18/h1-6H
WRXCBRHBHGNNQA-UHFFFAOYSA-N
CSID:55032, http://www.chemspider.com/Chemical-Structure.55032.html (accessed 13:11, 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) = 6.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 404.21 (Adapted Stein & Brown method) Melting Pt (deg C): 137.00 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.06E-006 (Modified Grain method) MP (exp database): 106 deg C Subcooled liquid VP: 6.57E-006 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): 0.02993 log Kow used: 6.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0569 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Peroxy Acids Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.07E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.771E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.01 (KowWin est) Log Kaw used: -4.359 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.369 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1630 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5330 (recalcitrant) Biowin4 (Primary Survey Model) : 2.6381 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3444 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.3456 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): 0.000876 Pa (6.57E-006 mm Hg) Log Koa (Koawin est ): 10.369 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00342 Octanol/air (Koa) model: 0.00574 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.11 Mackay model : 0.215 Octanol/air (Koa) model: 0.315 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.7592 E-12 cm3/molecule-sec Half-Life = 6.080 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 72.961 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.163 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 5528 Log Koc: 3.743 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.734E+005 L/mol-sec Kb Half-Life at pH 8: 3.997 seconds Kb Half-Life at pH 7: 39.973 seconds Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 3.928 (BCF = 8478) log Kow used: 6.01 (estimated) Volatilization from Water: Henry LC: 1.07E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1069 hours (44.53 days) Half-Life from Model Lake : 1.182E+004 hours (492.6 days) Removal In Wastewater Treatment: Total removal: 92.20 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.43 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 0.175 146 1000 Water 1.48 4.32e+003 1000 Soil 50.4 8.64e+003 1000 Sediment 47.9 3.89e+004 0 Persistence Time: 9.85e+003 hr
Click to predict properties on the Chemicalize site
Advertisement
Spotlight