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- Double-bond stereo
2,2-Dichloro-N'-{(E)-[4-(diethylamino)-2-hydroxyphenyl]methylene}-1-methylcyclopropanecarbohydrazide
CCN(CC)c1ccc(c(c1)O)/C=N/NC(=O)C2(CC2(Cl)Cl)C
InChI=1S/C16H21Cl2N3O2/c1-4-21(5-2)12-7-6-11(13(22)8-12)9-19-20-14(23)15(3)10-16(15,17)18/h6-9,22H,4-5,10H2,1-3H3,(H,20,23)/b19-9+
WKXBEDZGHLGAQM-DJKKODMXSA-N
CSID:13050605, http://www.chemspider.com/Chemical-Structure.13050605.html (accessed 07:03, Apr 29, 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) = 3.58 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 484.90 (Adapted Stein & Brown method) Melting Pt (deg C): 205.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.13E-010 (Modified Grain method) Subcooled liquid VP: 9.23E-009 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): 4.829 log Kow used: 3.58 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 53.112 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Phenols Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.01E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.103E-011 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.58 (KowWin est) Log Kaw used: -13.434 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.014 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1031 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.4384 (recalcitrant) Biowin4 (Primary Survey Model) : 2.5744 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1022 Biowin6 (MITI Non-Linear Model): 0.0010 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.4158 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): 1.23E-006 Pa (9.23E-009 mm Hg) Log Koa (Koawin est ): 17.014 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.44 Octanol/air (Koa) model: 2.54E+004 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.989 Mackay model : 0.995 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 225.8356 E-12 cm3/molecule-sec Half-Life = 0.047 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.568 Hrs Ozone Reaction: No Ozone Reaction Estimation Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 0.992 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.172E+004 Log Koc: 4.501 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 = 2.057 (BCF = 114.1) log Kow used: 3.58 (estimated) Volatilization from Water: Henry LC: 9.01E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.23E+012 hours (5.125E+010 days) Half-Life from Model Lake : 1.342E+013 hours (5.591E+011 days) Removal In Wastewater Treatment: Total removal: 14.98 percent Total biodegradation: 0.20 percent Total sludge adsorption: 14.78 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 2.1e-007 1.14 1000 Water 4.64 4.32e+003 1000 Soil 94.7 8.64e+003 1000 Sediment 0.631 3.89e+004 0 Persistence Time: 7.69e+003 hr
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