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3,4-Dichloro-6-phenylpyridazine
C1=CC=C(C=C1)C2=NN=C(C(=C2)Cl)Cl
InChI=1S/C10H6Cl2N2/c11-8-6-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-6H
DGKIYVQEFBTNMF-UHFFFAOYSA-N
CSID:10525467, http://www.chemspider.com/Chemical-Structure.10525467.html (accessed 15:01, Jun 16, 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) = 2.99 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 371.33 (Adapted Stein & Brown method) Melting Pt (deg C): 129.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.65E-006 (Modified Grain method) Subcooled liquid VP: 4.09E-005 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): 89.86 log Kow used: 2.99 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 67.984 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.63E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.203E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.99 (KowWin est) Log Kaw used: -3.506 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.496 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4036 Biowin2 (Non-Linear Model) : 0.0817 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.3106 (weeks-months) Biowin4 (Primary Survey Model) : 3.1972 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1042 Biowin6 (MITI Non-Linear Model): 0.0244 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.3229 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): 0.00545 Pa (4.09E-005 mm Hg) Log Koa (Koawin est ): 6.496 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00055 Octanol/air (Koa) model: 7.69E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0195 Mackay model : 0.0422 Octanol/air (Koa) model: 6.15E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.8595 E-12 cm3/molecule-sec Half-Life = 5.752 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 69.024 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0308 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1814 Log Koc: 3.259 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 = 1.605 (BCF = 40.25) log Kow used: 2.99 (estimated) Volatilization from Water: Henry LC: 7.63E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 116.7 hours (4.861 days) Half-Life from Model Lake : 1398 hours (58.27 days) Removal In Wastewater Treatment: Total removal: 6.00 percent Total biodegradation: 0.12 percent Total sludge adsorption: 5.47 percent Total to Air: 0.41 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.01 138 1000 Water 18.6 900 1000 Soil 79 1.8e+003 1000 Sediment 0.414 8.1e+003 0 Persistence Time: 1.07e+003 hr
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