2,6-Dichloropyridine
c1cc(nc(c1)Cl)Cl
InChI=1S/C5H3Cl2N/c6-4-2-1-3-5(7)8-4/h1-3H
FILKGCRCWDMBKA-UHFFFAOYSA-N
CSID:16095, http://www.chemspider.com/Chemical-Structure.16095.html (accessed 12:21, Apr 19, 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) = 2.09 Log Kow (Exper. database match) = 2.15 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 184.44 (Adapted Stein & Brown method) Melting Pt (deg C): 18.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0475 (Modified Grain method) MP (exp database): 88 deg C BP (exp database): 211 deg C Subcooled liquid VP: 0.191 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): 1129 log Kow used: 2.15 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1562.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.54E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.193E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.15 (exp database) Log Kaw used: -0.201 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.351 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1577 Biowin2 (Non-Linear Model) : 0.0085 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2448 (months ) Biowin4 (Primary Survey Model) : 3.2848 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2754 Biowin6 (MITI Non-Linear Model): 0.0924 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3863 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): 25.5 Pa (0.191 mm Hg) Log Koa (Koawin est ): 2.351 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.18E-007 Octanol/air (Koa) model: 5.51E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.25E-006 Mackay model : 9.42E-006 Octanol/air (Koa) model: 4.41E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1831 E-12 cm3/molecule-sec Half-Life = 58.417 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.84E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 86.58 Log Koc: 1.937 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 = 0.956 (BCF = 9.026) log Kow used: 2.15 (expkow database) Volatilization from Water: Henry LC: 0.0154 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.288 hours Half-Life from Model Lake : 116.1 hours (4.835 days) Removal In Wastewater Treatment: Total removal: 85.78 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.83 percent Total to Air: 84.93 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 46.6 1.4e+003 1000 Water 47.8 1.44e+003 1000 Soil 5.38 2.88e+003 1000 Sediment 0.229 1.3e+004 0 Persistence Time: 178 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.09 Log Kow (Exper. database match) = 2.15 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 184.44 (Adapted Stein & Brown method) Melting Pt (deg C): 18.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0475 (Modified Grain method) MP (exp database): 88 deg C BP (exp database): 211 deg C Subcooled liquid VP: 0.191 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): 1129 log Kow used: 2.15 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1562.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.54E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.193E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.15 (exp database) Log Kaw used: -0.201 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.351 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1577 Biowin2 (Non-Linear Model) : 0.0085 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2448 (months ) Biowin4 (Primary Survey Model) : 3.2848 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2754 Biowin6 (MITI Non-Linear Model): 0.0924 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3863 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): 25.5 Pa (0.191 mm Hg) Log Koa (Koawin est ): 2.351 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.18E-007 Octanol/air (Koa) model: 5.51E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.25E-006 Mackay model : 9.42E-006 Octanol/air (Koa) model: 4.41E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1831 E-12 cm3/molecule-sec Half-Life = 58.417 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.84E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 86.58 Log Koc: 1.937 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 = 0.956 (BCF = 9.026) log Kow used: 2.15 (expkow database) Volatilization from Water: Henry LC: 0.0154 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.288 hours Half-Life from Model Lake : 116.1 hours (4.835 days) Removal In Wastewater Treatment: Total removal: 85.78 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.83 percent Total to Air: 84.93 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 46.6 1.4e+003 1000 Water 47.8 1.44e+003 1000 Soil 5.38 2.88e+003 1000 Sediment 0.229 1.3e+004 0 Persistence Time: 178 hr
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