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- Double-bond stereo
2,4-Dichloro-N-(4-{(1Z)-N-[(2-phenylcyclopropyl)carbonyl]ethanehydrazonoyl}phenyl)benzamide
C/C(=N/NC(=O)C1CC1c2ccccc2)/c3ccc(cc3)NC(=O)c4ccc(cc4Cl)Cl
InChI=1S/C25H21Cl2N3O2/c1-15(29-30-25(32)22-14-21(22)17-5-3-2-4-6-17)16-7-10-19(11-8-16)28-24(31)20-12-9-18(26)13-23(20)27/h2-13,21-22H,14H2,1H3,(H,28,31)(H,30,32)/b29-15-
VCWXLGAMONAJQH-FDVSRXAVSA-N
CSID:4757886, http://www.chemspider.com/Chemical-Structure.4757886.html (accessed 22:30, Jul 5, 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) = 6.47 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 678.12 (Adapted Stein & Brown method) Melting Pt (deg C): 295.80 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.17E-016 (Modified Grain method) Subcooled liquid VP: 6.41E-013 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): 0.003531 log Kow used: 6.47 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0019267 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.97E-014 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.072E-013 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 6.47 (KowWin est) Log Kaw used: -11.790 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 18.260 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5536 Biowin2 (Non-Linear Model) : 0.0706 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6483 (recalcitrant) Biowin4 (Primary Survey Model) : 2.9860 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4149 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7048 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): 8.55E-011 Pa (6.41E-013 mm Hg) Log Koa (Koawin est ): 18.260 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.51E+004 Octanol/air (Koa) model: 4.47E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.3882 E-12 cm3/molecule-sec Half-Life = 0.405 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.864 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 : 1.08E+006 Log Koc: 6.034 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 = 4.279 (BCF = 1.899e+004) log Kow used: 6.47 (estimated) Volatilization from Water: Henry LC: 3.97E-014 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.185E+010 hours (1.327E+009 days) Half-Life from Model Lake : 3.474E+011 hours (1.448E+010 days) Removal In Wastewater Treatment: Total removal: 93.39 percent Total biodegradation: 0.78 percent Total sludge adsorption: 92.62 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 0.0221 9.73 1000 Water 0.954 4.32e+003 1000 Soil 48.5 8.64e+003 1000 Sediment 50.5 3.89e+004 0 Persistence Time: 1.15e+004 hr
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