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- Double-bond stereo
2-(2,4-Dichlorophenoxy)-N'-[(1E)-5-isopropenyl-2-methyl-2-cyclohexen-1-ylidene]acetohydrazide
CC\1=CCC(C/C1=N\NC(=O)COC2=C(C=C(C=C2)Cl)Cl)C(=C)C
InChI=1S/C18H20Cl2N2O2/c1-11(2)13-5-4-12(3)16(8-13)21-22-18(23)10-24-17-7-6-14(19)9-15(17)20/h4,6-7,9,13H,1,5,8,10H2,2-3H3,(H,22,23)/b21-16+
SHQWUPWIGBEQDY-LTGZKZEYSA-N
CSID:7941171, http://www.chemspider.com/Chemical-Structure.7941171.html (accessed 14:20, Jul 9, 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) = 6.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 487.85 (Adapted Stein & Brown method) Melting Pt (deg C): 206.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.57E-010 (Modified Grain method) Subcooled liquid VP: 5.56E-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): 0.006834 log Kow used: 6.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.2033 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.59E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.646E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.85 (KowWin est) Log Kaw used: -6.975 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 13.825 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3398 Biowin2 (Non-Linear Model) : 0.0182 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9162 (months ) Biowin4 (Primary Survey Model) : 3.0643 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0276 Biowin6 (MITI Non-Linear Model): 0.0026 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.6310 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): 7.41E-006 Pa (5.56E-008 mm Hg) Log Koa (Koawin est ): 13.825 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.405 Octanol/air (Koa) model: 16.4 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.936 Mackay model : 0.97 Octanol/air (Koa) model: 0.999 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 155.6751 E-12 cm3/molecule-sec Half-Life = 0.069 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.824 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 8.593750 E-17 cm3/molecule-sec Half-Life = 0.133 Days (at 7E11 mol/cm3) Half-Life = 3.200 Hrs Fraction sorbed to airborne particulates (phi): 0.953 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.626E+005 Log Koc: 5.211 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 = 4.577 (BCF = 3.775e+004) log Kow used: 6.85 (estimated) Volatilization from Water: Henry LC: 2.59E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.332E+005 hours (1.805E+004 days) Half-Life from Model Lake : 4.726E+006 hours (1.969E+005 days) Removal In Wastewater Treatment: Total removal: 93.77 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.99 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 0.01 1.09 1000 Water 1.62 1.44e+003 1000 Soil 32.4 2.88e+003 1000 Sediment 66 1.3e+004 0 Persistence Time: 4.65e+003 hr
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