2-(Octyloxy)pyridine
CCCCCCCCOc1ccccn1
InChI=1S/C13H21NO/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14-13/h7-8,10-11H,2-6,9,12H2,1H3
YRRNIRAKWMOLTK-UHFFFAOYSA-N
CSID:89194, http://www.chemspider.com/Chemical-Structure.89194.html (accessed 23:25, Mar 28, 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) = 4.78 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 289.00 (Adapted Stein & Brown method) Melting Pt (deg C): 69.19 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00134 (Modified Grain method) Subcooled liquid VP: 0.00349 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): 3.334 log Kow used: 4.78 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 53.155 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.76E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.096E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.78 (KowWin est) Log Kaw used: -2.948 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.728 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7346 Biowin2 (Non-Linear Model) : 0.9254 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7671 (weeks ) Biowin4 (Primary Survey Model) : 3.8761 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6363 Biowin6 (MITI Non-Linear Model): 0.7130 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.0581 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.465 Pa (0.00349 mm Hg) Log Koa (Koawin est ): 7.728 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 6.45E-006 Octanol/air (Koa) model: 1.31E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000233 Mackay model : 0.000515 Octanol/air (Koa) model: 0.00105 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 22.0775 E-12 cm3/molecule-sec Half-Life = 0.484 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 5.814 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000374 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 8551 Log Koc: 3.932 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 = 1.979 (BCF = 95.29) log Kow used: 4.78 (estimated) Volatilization from Water: Henry LC: 2.76E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 32.01 hours (1.334 days) Half-Life from Model Lake : 470 hours (19.58 days) Removal In Wastewater Treatment: Total removal: 69.73 percent Total biodegradation: 0.62 percent Total sludge adsorption: 68.72 percent Total to Air: 0.40 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.974 11.6 1000 Water 19.2 360 1000 Soil 66.2 720 1000 Sediment 13.6 3.24e+003 0 Persistence Time: 524 hr
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