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- Double-bond stereo
2,4-Dichloro-N'-(4-propylcyclohexylidene)benzohydrazide
CCCC1CCC(=NNC(=O)c2ccc(cc2Cl)Cl)CC1
InChI=1S/C16H20Cl2N2O/c1-2-3-11-4-7-13(8-5-11)19-20-16(21)14-9-6-12(17)10-15(14)18/h6,9-11H,2-5,7-8H2,1H3,(H,20,21)/b19-13-
NWGMLFUANJFZTC-UYRXBGFRSA-N
CSID:4324935, http://www.chemspider.com/Chemical-Structure.4324935.html (accessed 16:57, May 13, 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) = 6.04 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 456.09 (Adapted Stein & Brown method) Melting Pt (deg C): 190.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.38E-009 (Modified Grain method) Subcooled liquid VP: 3.47E-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): 0.05925 log Kow used: 6.04 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.1597 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.38E-008 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.637E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.04 (KowWin est) Log Kaw used: -6.249 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.289 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2269 Biowin2 (Non-Linear Model) : 0.0034 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0628 (months ) Biowin4 (Primary Survey Model) : 3.0449 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0339 Biowin6 (MITI Non-Linear Model): 0.0049 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.7229 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): 4.63E-005 Pa (3.47E-007 mm Hg) Log Koa (Koawin est ): 12.289 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0648 Octanol/air (Koa) model: 0.478 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.701 Mackay model : 0.838 Octanol/air (Koa) model: 0.974 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.3710 E-12 cm3/molecule-sec Half-Life = 0.582 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.987 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.77 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.194E+004 Log Koc: 4.792 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 = 3.949 (BCF = 8885) log Kow used: 6.04 (estimated) Volatilization from Water: Henry LC: 1.38E-008 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.675E+004 hours (3198 days) Half-Life from Model Lake : 8.374E+005 hours (3.489E+004 days) Removal In Wastewater Treatment: Total removal: 92.32 percent Total biodegradation: 0.77 percent Total sludge adsorption: 91.55 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 0.0581 14 1000 Water 2.54 1.44e+003 1000 Soil 44.4 2.88e+003 1000 Sediment 53 1.3e+004 0 Persistence Time: 4.59e+003 hr
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