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1-(4-Morpholinyl)-1-oxo-2-propanyl 3,4,5-trichloro-2-pyridinecarboxylate
CC(C(=O)N1CCOCC1)OC(=O)c2c(c(c(cn2)Cl)Cl)Cl
InChI=1S/C13H13Cl3N2O4/c1-7(12(19)18-2-4-21-5-3-18)22-13(20)11-10(16)9(15)8(14)6-17-11/h6-7H,2-5H2,1H3
QUMCIUXEHWVCEF-UHFFFAOYSA-N
CSID:10925054, http://www.chemspider.com/Chemical-Structure.10925054.html (accessed 22:23, Apr 28, 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) = 1.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 437.95 (Adapted Stein & Brown method) Melting Pt (deg C): 183.61 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.16E-008 (Modified Grain method) Subcooled liquid VP: 9.77E-007 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): 268.4 log Kow used: 1.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2.0174e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.71E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.893E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.47 (KowWin est) Log Kaw used: -13.448 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.918 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0923 Biowin2 (Non-Linear Model) : 0.0014 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6301 (recalcitrant) Biowin4 (Primary Survey Model) : 3.2272 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1122 Biowin6 (MITI Non-Linear Model): 0.0067 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2038 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): 0.00013 Pa (9.77E-007 mm Hg) Log Koa (Koawin est ): 14.918 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.023 Octanol/air (Koa) model: 203 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.454 Mackay model : 0.648 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 58.7285 E-12 cm3/molecule-sec Half-Life = 0.182 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.186 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.551 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 337.1 Log Koc: 2.528 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.838E-002 L/mol-sec Kb Half-Life at pH 8: 282.672 days Kb Half-Life at pH 7: 7.739 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.433 (BCF = 2.709) log Kow used: 1.47 (estimated) Volatilization from Water: Henry LC: 8.71E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.289E+012 hours (5.37E+010 days) Half-Life from Model Lake : 1.406E+013 hours (5.858E+011 days) Removal In Wastewater Treatment: Total removal: 1.96 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.87 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 1.24e-008 4.37 1000 Water 38.1 4.32e+003 1000 Soil 61.8 8.64e+003 1000 Sediment 0.0979 3.89e+004 0 Persistence Time: 2.03e+003 hr
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