Trichloroacetic anhydride
C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl
InChI=1S/C4Cl6O3/c5-3(6,7)1(11)13-2(12)4(8,9)10
MEFKFJOEVLUFAY-UHFFFAOYSA-N
CSID:18918, http://www.chemspider.com/Chemical-Structure.18918.html (accessed 14:14, Nov 28, 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) = 2.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 220.90 (Adapted Stein & Brown method) Melting Pt (deg C): 35.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.093 (Modified Grain method) VP (exp database): 1.24E-01 mm Hg at 25 deg C Subcooled liquid VP: 0.159 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 164.3 log Kow used: 2.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1158.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.81E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.300E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.13 (KowWin est) Log Kaw used: -5.555 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.685 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.4356 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.0535 (recalcitrant) Biowin4 (Primary Survey Model) : 2.4917 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0647 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0797 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): 21.2 Pa (0.159 mm Hg) Log Koa (Koawin est ): 7.685 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.42E-007 Octanol/air (Koa) model: 1.19E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.11E-006 Mackay model : 1.13E-005 Octanol/air (Koa) model: 0.00095 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.22E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.92 Log Koc: 1.174 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.341E+007 L/mol-sec Kb Half-Life at pH 8: 0.021 seconds Kb Half-Life at pH 7: 0.207 seconds Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.943 (BCF = 8.771) log Kow used: 2.13 (estimated) Volatilization from Water: Henry LC: 6.81E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.511E+004 hours (629.5 days) Half-Life from Model Lake : 1.65E+005 hours (6874 days) Removal In Wastewater Treatment: Total removal: 2.39 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.29 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 0.258 1e+005 1000 Water 20.8 4.32e+003 1000 Soil 78.8 8.64e+003 1000 Sediment 0.1 3.89e+004 0 Persistence Time: 3.02e+003 hr
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