Try beta.chemspider
5-(1-Methyl-2-piperidinyl)-2,3'-bipyridine
CN1CCCCC1c2ccc(nc2)c3cccnc3
InChI=1S/C16H19N3/c1-19-10-3-2-6-16(19)14-7-8-15(18-12-14)13-5-4-9-17-11-13/h4-5,7-9,11-12,16H,2-3,6,10H2,1H3
TZRDBHMKTWECOV-UHFFFAOYSA-N
CSID:141703, http://www.chemspider.com/Chemical-Structure.141703.html (accessed 05:49, May 8, 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) = 2.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 383.96 (Adapted Stein & Brown method) Melting Pt (deg C): 145.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.22E-006 (Modified Grain method) Subcooled liquid VP: 2.03E-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): 3982 log Kow used: 2.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2504.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.00E-013 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.021E-010 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.06 (KowWin est) Log Kaw used: -10.786 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 12.846 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1125 Biowin2 (Non-Linear Model) : 0.0023 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9562 (months ) Biowin4 (Primary Survey Model) : 3.1567 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0663 Biowin6 (MITI Non-Linear Model): 0.0112 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1512 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): 0.00271 Pa (2.03E-005 mm Hg) Log Koa (Koawin est ): 12.846 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00111 Octanol/air (Koa) model: 1.72 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0385 Mackay model : 0.0814 Octanol/air (Koa) model: 0.993 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 105.7959 E-12 cm3/molecule-sec Half-Life = 0.101 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 1.213 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.06 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.655E+005 Log Koc: 5.219 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 = 0.890 (BCF = 7.759) log Kow used: 2.06 (estimated) Volatilization from Water: Henry LC: 4E-013 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 2.33E+009 hours (9.707E+007 days) Half-Life from Model Lake : 2.542E+010 hours (1.059E+009 days) Removal In Wastewater Treatment: Total removal: 2.30 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.21 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 2.93e-006 2.43 1000 Water 21.9 1.44e+003 1000 Soil 78 2.88e+003 1000 Sediment 0.0931 1.3e+004 0 Persistence Time: 1.95e+003 hr
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