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Ethyl 4-{2-[4-(2,4-dichlorophenoxy)butanoyl]hydrazino}-4-oxobutanoate
CCOC(=O)CCC(=O)NNC(=O)CCCOc1ccc(cc1Cl)Cl
InChI=1S/C16H20Cl2N2O5/c1-2-24-16(23)8-7-15(22)20-19-14(21)4-3-9-25-13-6-5-11(17)10-12(13)18/h5-6,10H,2-4,7-9H2,1H3,(H,19,21)(H,20,22)
YQGWQWDYJRQFDG-UHFFFAOYSA-N
CSID:2583784, http://www.chemspider.com/Chemical-Structure.2583784.html (accessed 02:32, Apr 26, 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) = 2.45 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 570.62 (Adapted Stein & Brown method) Melting Pt (deg C): 245.59 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.73E-012 (Modified Grain method) Subcooled liquid VP: 4.28E-010 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): 27.91 log Kow used: 2.45 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1799.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.22E-015 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.191E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.45 (KowWin est) Log Kaw used: -12.763 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.213 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5025 Biowin2 (Non-Linear Model) : 0.4377 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0034 (months ) Biowin4 (Primary Survey Model) : 3.2587 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0481 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1715 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): 5.71E-008 Pa (4.28E-010 mm Hg) Log Koa (Koawin est ): 15.213 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 52.6 Octanol/air (Koa) model: 401 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.999 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 37.1042 E-12 cm3/molecule-sec Half-Life = 0.288 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.459 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2432 Log Koc: 3.386 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 4.465E-002 L/mol-sec Kb Half-Life at pH 8: 179.673 days Kb Half-Life at pH 7: 4.919 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.188 (BCF = 15.43) log Kow used: 2.45 (estimated) Volatilization from Water: Henry LC: 4.22E-015 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.744E+011 hours (1.143E+010 days) Half-Life from Model Lake : 2.994E+012 hours (1.247E+011 days) Removal In Wastewater Treatment: Total removal: 2.96 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.86 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 8.48e-005 6.92 1000 Water 15.3 1.44e+003 1000 Soil 84.6 2.88e+003 1000 Sediment 0.119 1.3e+004 0 Persistence Time: 2.32e+003 hr
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