2-Pentylpyridine
CCCCCc1ccccn1
InChI=1S/C10H15N/c1-2-3-4-7-10-8-5-6-9-11-10/h5-6,8-9H,2-4,7H2,1H3
HSDXVAOHEOSTFZ-UHFFFAOYSA-N
CSID:15924, http://www.chemspider.com/Chemical-Structure.15924.html (accessed 12:55, Apr 16, 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) = 3.32 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 219.64 (Adapted Stein & Brown method) Melting Pt (deg C): 20.92 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.134 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2246 log Kow used: 3.32 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 990.55 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.42E-005 atm-m3/mole Group Method: 3.62E-005 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.172E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.32 (KowWin est) Log Kaw used: -3.005 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.325 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6850 Biowin2 (Non-Linear Model) : 0.8419 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8787 (weeks ) Biowin4 (Primary Survey Model) : 3.8142 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3605 Biowin6 (MITI Non-Linear Model): 0.3592 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6543 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): 16.5 Pa (0.124 mm Hg) Log Koa (Koawin est ): 6.325 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.81E-007 Octanol/air (Koa) model: 5.19E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.55E-006 Mackay model : 1.45E-005 Octanol/air (Koa) model: 4.15E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.2104 E-12 cm3/molecule-sec Half-Life = 1.722 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 20.667 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.05E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 648.1 Log Koc: 2.812 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 = 1.853 (BCF = 71.36) log Kow used: 3.32 (estimated) Volatilization from Water: Henry LC: 3.62E-005 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 21 hours Half-Life from Model Lake : 331.6 hours (13.82 days) Removal In Wastewater Treatment: Total removal: 11.22 percent Total biodegradation: 0.15 percent Total sludge adsorption: 9.29 percent Total to Air: 1.77 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.94 41.3 1000 Water 22.8 360 1000 Soil 73.5 720 1000 Sediment 0.706 3.24e+003 0 Persistence Time: 462 hr
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