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5-Chloro-N'-(chloroacetyl)-2-methoxybenzohydrazide
COc1ccc(cc1C(=O)NNC(=O)CCl)Cl
InChI=1S/C10H10Cl2N2O3/c1-17-8-3-2-6(12)4-7(8)10(16)14-13-9(15)5-11/h2-4H,5H2,1H3,(H,13,15)(H,14,16)
KNWDGVSSGKZSSJ-UHFFFAOYSA-N
CSID:1584137, http://www.chemspider.com/Chemical-Structure.1584137.html (accessed 06:57, May 10, 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) = 1.09 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 487.21 (Adapted Stein & Brown method) Melting Pt (deg C): 206.62 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.87E-010 (Modified Grain method) Subcooled liquid VP: 5.77E-008 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): 1961 log Kow used: 1.09 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 23353 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Haloacetamides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.34E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.277E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.09 (KowWin est) Log Kaw used: -10.523 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 11.613 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4537 Biowin2 (Non-Linear Model) : 0.0727 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1489 (months ) Biowin4 (Primary Survey Model) : 3.2591 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.2083 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2573 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): 7.69E-006 Pa (5.77E-008 mm Hg) Log Koa (Koawin est ): 11.613 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.39 Octanol/air (Koa) model: 0.101 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.934 Mackay model : 0.969 Octanol/air (Koa) model: 0.89 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 17.8193 E-12 cm3/molecule-sec Half-Life = 0.600 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.203 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.951 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 184 Log Koc: 2.265 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 = 0.138 (BCF = 1.373) log Kow used: 1.09 (estimated) Volatilization from Water: Henry LC: 7.34E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.328E+009 hours (5.533E+007 days) Half-Life from Model Lake : 1.449E+010 hours (6.036E+008 days) Removal In Wastewater Treatment: Total removal: 1.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 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 0.000167 14.4 1000 Water 42.1 1.44e+003 1000 Soil 57.9 2.88e+003 1000 Sediment 0.0919 1.3e+004 0 Persistence Time: 1.31e+003 hr
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