Try beta.chemspider
2,6-Dichloro-4-methyl-3-pyridinamine
Cc1cc(nc(c1N)Cl)Cl
InChI=1S/C6H6Cl2N2/c1-3-2-4(7)10-6(8)5(3)9/h2H,9H2,1H3
AULKGEJDEAKINM-UHFFFAOYSA-N
CSID:610945, http://www.chemspider.com/Chemical-Structure.610945.html (accessed 20:42, Apr 25, 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) = 1.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 270.79 (Adapted Stein & Brown method) Melting Pt (deg C): 74.05 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00312 (Modified Grain method) Subcooled liquid VP: 0.00907 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): 1919 log Kow used: 1.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6561.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aromatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.01E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.787E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.72 (KowWin est) Log Kaw used: -3.610 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.330 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0352 Biowin2 (Non-Linear Model) : 0.0015 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9708 (months ) Biowin4 (Primary Survey Model) : 3.0660 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0563 Biowin6 (MITI Non-Linear Model): 0.0136 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0724 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): 1.21 Pa (0.00907 mm Hg) Log Koa (Koawin est ): 5.330 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.48E-006 Octanol/air (Koa) model: 5.25E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.96E-005 Mackay model : 0.000198 Octanol/air (Koa) model: 4.2E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.9191 E-12 cm3/molecule-sec Half-Life = 11.637 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000144 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 198.3 Log Koc: 2.297 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 = 0.627 (BCF = 4.24) log Kow used: 1.72 (estimated) Volatilization from Water: Henry LC: 6.01E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 131 hours (5.457 days) Half-Life from Model Lake : 1540 hours (64.18 days) Removal In Wastewater Treatment: Total removal: 2.39 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.96 percent Total to Air: 0.34 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.3 279 1000 Water 36.8 1.44e+003 1000 Soil 59.8 2.88e+003 1000 Sediment 0.11 1.3e+004 0 Persistence Time: 908 hr
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