- Double-bond stereo
(1Z)-1-[2-(2-Chloroethyl)benzylidene]-2-methylhydrazine
ClCCc1ccccc1/C=N\NC
InChI=1S/C10H13ClN2/c1-12-13-8-10-5-3-2-4-9(10)6-7-11/h2-5,8,12H,6-7H2,1H3/b13-8-
NVJVNXFZPVVVBO-JYRVWZFOSA-N
CSID:7845170, http://www.chemspider.com/Chemical-Structure.7845170.html (accessed 03:59, Apr 20, 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) = 2.70 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 296.37 (Adapted Stein & Brown method) Melting Pt (deg C): 53.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00128 (Modified Grain method) Subcooled liquid VP: 0.00237 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): 226.3 log Kow used: 2.70 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1107.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.44E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.464E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.70 (KowWin est) Log Kaw used: -4.462 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.162 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5972 Biowin2 (Non-Linear Model) : 0.2573 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5165 (weeks-months) Biowin4 (Primary Survey Model) : 3.3948 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1454 Biowin6 (MITI Non-Linear Model): 0.0616 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2974 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): 0.316 Pa (0.00237 mm Hg) Log Koa (Koawin est ): 7.162 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.49E-006 Octanol/air (Koa) model: 3.56E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000343 Mackay model : 0.000759 Octanol/air (Koa) model: 0.000285 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 72.8080 E-12 cm3/molecule-sec Half-Life = 0.147 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.763 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000551 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 7797 Log Koc: 3.892 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 = 1.377 (BCF = 23.8) log Kow used: 2.70 (estimated) Volatilization from Water: Henry LC: 8.44E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 974.3 hours (40.6 days) Half-Life from Model Lake : 1.075E+004 hours (447.8 days) Removal In Wastewater Treatment: Total removal: 3.86 percent Total biodegradation: 0.11 percent Total sludge adsorption: 3.70 percent Total to Air: 0.05 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.167 3.53 1000 Water 21.4 900 1000 Soil 78.2 1.8e+003 1000 Sediment 0.257 8.1e+003 0 Persistence Time: 977 hr
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