2-Methyl-4,6-bis(4-propoxyphenyl)pyridine
CCCOc1ccc(cc1)c2cc(nc(c2)c3ccc(cc3)OCCC)C
InChI=1S/C24H27NO2/c1-4-14-26-22-10-6-19(7-11-22)21-16-18(3)25-24(17-21)20-8-12-23(13-9-20)27-15-5-2/h6-13,16-17H,4-5,14-15H2,1-3H3
YJHYTPZGPHILRJ-UHFFFAOYSA-N
CSID:2347492, http://www.chemspider.com/Chemical-Structure.2347492.html (accessed 12:24, Apr 2, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 7.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 493.73 (Adapted Stein & Brown method) Melting Pt (deg C): 206.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.76E-010 (Modified Grain method) Subcooled liquid VP: 3.95E-008 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): 0.005487 log Kow used: 7.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0075611 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.99E-010 atm-m3/mole Group Method: 1.25E-007 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.126E-008 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.01 (KowWin est) Log Kaw used: -7.690 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 14.700 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7394 Biowin2 (Non-Linear Model) : 0.7877 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9951 (months ) Biowin4 (Primary Survey Model) : 3.3932 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3158 Biowin6 (MITI Non-Linear Model): 0.0788 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4519 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): 5.27E-006 Pa (3.95E-008 mm Hg) Log Koa (Koawin est ): 14.700 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.57 Octanol/air (Koa) model: 123 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.954 Mackay model : 0.979 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 54.6642 E-12 cm3/molecule-sec Half-Life = 0.196 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.348 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.966 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.242E+006 Log Koc: 6.351 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 = 4.802 (BCF = 6.335e+004) log Kow used: 7.01 (estimated) Volatilization from Water: Henry LC: 1.25E-007 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 8907 hours (371.1 days) Half-Life from Model Lake : 9.733E+004 hours (4055 days) Removal In Wastewater Treatment: Total removal: 93.85 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.07 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 0.0371 4.7 1000 Water 1.52 1.44e+003 1000 Soil 33 2.88e+003 1000 Sediment 65.5 1.3e+004 0 Persistence Time: 4.8e+003 hr
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