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5-Chloro-4,6-dimethyl-2-(1-methylhydrazino)nicotinonitrile
Cc1c(c(nc(c1Cl)C)N(C)N)C#N
InChI=1S/C9H11ClN4/c1-5-7(4-11)9(14(3)12)13-6(2)8(5)10/h12H2,1-3H3
FWWQIZXJOZZXLY-UHFFFAOYSA-N
CSID:1242552, http://www.chemspider.com/Chemical-Structure.1242552.html (accessed 10:32, 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) = 2.23 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 333.82 (Adapted Stein & Brown method) Melting Pt (deg C): 120.35 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.6E-005 (Modified Grain method) Subcooled liquid VP: 0.000318 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): 261.3 log Kow used: 2.23 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.86E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.819E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.23 (KowWin est) Log Kaw used: -10.119 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.349 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7266 Biowin2 (Non-Linear Model) : 0.8968 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0808 (months ) Biowin4 (Primary Survey Model) : 3.1575 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1599 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2518 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): 0.0424 Pa (0.000318 mm Hg) Log Koa (Koawin est ): 12.349 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.08E-005 Octanol/air (Koa) model: 0.548 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00255 Mackay model : 0.00563 Octanol/air (Koa) model: 0.978 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.3646 E-12 cm3/molecule-sec Half-Life = 4.523 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 54.280 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00409 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 280.7 Log Koc: 2.448 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 = 1.016 (BCF = 10.39) log Kow used: 2.23 (estimated) Volatilization from Water: Henry LC: 1.86E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 4.569E+008 hours (1.904E+007 days) Half-Life from Model Lake : 4.984E+009 hours (2.077E+008 days) Removal In Wastewater Treatment: Total removal: 2.52 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.42 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 1.2e-005 109 1000 Water 18.6 1.44e+003 1000 Soil 81.3 2.88e+003 1000 Sediment 0.101 1.3e+004 0 Persistence Time: 2.12e+003 hr
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