2-Methyl-2H-cyclopenta[d]pyridazine
N\2=C\C1=C\C=C/C1=C/N/2C CopyCopied
InChI=1S/C8H8N2/c1-10-6-8-4-2-3-7(8)5-9-10/h2-6H,1H3 CopyCopied
BIMGWGYFPBTJLU-UHFFFAOYSA-N CopyCopied
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2H-Cyclopenta[d]pyridazine, 2-methyl-
Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™, for more information see their website.
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.26 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 212.68 (Adapted Stein & Brown method) Melting Pt (deg C): 35.97 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.14 (Modified Grain method) Subcooled liquid VP: 0.176 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): 7509 log Kow used: 1.26 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 19827 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Hydrazines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.24E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.242E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.26 (KowWin est) Log Kaw used: -2.878 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.138 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6846 Biowin2 (Non-Linear Model) : 0.7562 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9071 (weeks ) Biowin4 (Primary Survey Model) : 3.6571 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3566 Biowin6 (MITI Non-Linear Model): 0.2166 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5019 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): 23.5 Pa (0.176 mm Hg) Log Koa (Koawin est ): 4.138 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.28E-007 Octanol/air (Koa) model: 3.37E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.62E-006 Mackay model : 1.02E-005 Octanol/air (Koa) model: 2.7E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 136.0003 E-12 cm3/molecule-sec Half-Life = 0.079 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.944 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.947500 E-17 cm3/molecule-sec Half-Life = 0.588 Days (at 7E11 mol/cm3) Half-Life = 14.123 Hrs Fraction sorbed to airborne particulates (phi): 7.42E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 910.7 Log Koc: 2.959 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 = 0.273 (BCF = 1.876) log Kow used: 1.26 (estimated) Volatilization from Water: Henry LC: 3.24E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 21.95 hours Half-Life from Model Lake : 335.8 hours (13.99 days) Removal In Wastewater Treatment: Total removal: 3.63 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 1.74 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.329 1.67 1000 Water 42.4 360 1000 Soil 57.2 720 1000 Sediment 0.0909 3.24e+003 0 Persistence Time: 313 hr
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