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7-Chloro-4-(1-piperidinyl)quinoline
c1cc2c(ccnc2cc1Cl)N3CCCCC3
InChI=1S/C14H15ClN2/c15-11-4-5-12-13(10-11)16-7-6-14(12)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2
FNCNNOMKQUPPIK-UHFFFAOYSA-N
CSID:2009568, http://www.chemspider.com/Chemical-Structure.2009568.html (accessed 04:59, Jun 1, 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) = 4.33 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 361.64 (Adapted Stein & Brown method) Melting Pt (deg C): 134.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.6E-006 (Modified Grain method) Subcooled liquid VP: 6.98E-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): 4.988 log Kow used: 4.33 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 725.72 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.37E-009 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.645E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.33 (KowWin est) Log Kaw used: -6.466 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 10.796 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2424 Biowin2 (Non-Linear Model) : 0.0087 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.1925 (months ) Biowin4 (Primary Survey Model) : 3.0384 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0391 Biowin6 (MITI Non-Linear Model): 0.0204 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.7183 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): 0.00931 Pa (6.98E-005 mm Hg) Log Koa (Koawin est ): 10.796 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.000322 Octanol/air (Koa) model: 0.0153 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0115 Mackay model : 0.0251 Octanol/air (Koa) model: 0.551 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 83.9447 E-12 cm3/molecule-sec Half-Life = 0.127 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.529 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0183 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.477E+004 Log Koc: 4.811 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 = 2.631 (BCF = 427.3) log Kow used: 4.33 (estimated) Volatilization from Water: Henry LC: 8.37E-009 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.099E+005 hours (4578 days) Half-Life from Model Lake : 1.199E+006 hours (4.995E+004 days) Removal In Wastewater Treatment: Total removal: 46.89 percent Total biodegradation: 0.45 percent Total sludge adsorption: 46.44 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.0257 3.06 1000 Water 9.46 1.44e+003 1000 Soil 84.2 2.88e+003 1000 Sediment 6.27 1.3e+004 0 Persistence Time: 2.45e+003 hr
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