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2-Chloro-3-(3-chloropropyl)quinoline
ClCCCc1cc2ccccc2nc1Cl
InChI=1S/C12H11Cl2N/c13-7-3-5-10-8-9-4-1-2-6-11(9)15-12(10)14/h1-2,4,6,8H,3,5,7H2
QCYHXZIFBMOXLP-UHFFFAOYSA-N
CSID:8597183, http://www.chemspider.com/Chemical-Structure.8597183.html (accessed 15:39, Jun 5, 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) = 4.57 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 347.42 (Adapted Stein & Brown method) Melting Pt (deg C): 115.26 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.95E-005 (Modified Grain method) Subcooled liquid VP: 0.000152 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): 3.35 log Kow used: 4.57 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6.1085 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.20E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.839E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.57 (KowWin est) Log Kaw used: -3.046 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.616 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3941 Biowin2 (Non-Linear Model) : 0.0243 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.2139 (months ) Biowin4 (Primary Survey Model) : 3.1668 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0892 Biowin6 (MITI Non-Linear Model): 0.0193 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1278 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): 0.0203 Pa (0.000152 mm Hg) Log Koa (Koawin est ): 7.616 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000148 Octanol/air (Koa) model: 1.01E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00532 Mackay model : 0.0117 Octanol/air (Koa) model: 0.00081 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.1459 E-12 cm3/molecule-sec Half-Life = 0.960 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.516 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.00851 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.234E+004 Log Koc: 4.510 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 = 2.819 (BCF = 659.7) log Kow used: 4.57 (estimated) Volatilization from Water: Henry LC: 2.2E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 42.82 hours (1.784 days) Half-Life from Model Lake : 597.1 hours (24.88 days) Removal In Wastewater Treatment: Total removal: 59.93 percent Total biodegradation: 0.55 percent Total sludge adsorption: 58.94 percent Total to Air: 0.45 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.503 23 1000 Water 10.6 1.44e+003 1000 Soil 76.7 2.88e+003 1000 Sediment 12.3 1.3e+004 0 Persistence Time: 1.81e+003 hr
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