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4-Methyl-2-vinylpyridine
Cc1ccnc(c1)C=C
InChI=1S/C8H9N/c1-3-8-6-7(2)4-5-9-8/h3-6H,1H2,2H3
WVNIWWGCVMYYJZ-UHFFFAOYSA-N
CSID:9380803, http://www.chemspider.com/Chemical-Structure.9380803.html (accessed 00:42, Apr 25, 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) = 2.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 178.27 (Adapted Stein & Brown method) Melting Pt (deg C): 2.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.05 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1202 log Kow used: 2.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9969.2 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.99E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.370E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.25 (KowWin est) Log Kaw used: -3.787 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.037 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5909 Biowin2 (Non-Linear Model) : 0.5635 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6468 (weeks-months) Biowin4 (Primary Survey Model) : 3.5885 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4088 Biowin6 (MITI Non-Linear Model): 0.3495 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5985 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): 127 Pa (0.954 mm Hg) Log Koa (Koawin est ): 6.037 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.36E-008 Octanol/air (Koa) model: 2.67E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.52E-007 Mackay model : 1.89E-006 Octanol/air (Koa) model: 2.14E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.3441 E-12 cm3/molecule-sec Half-Life = 0.391 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.694 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 1.37E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 167.3 Log Koc: 2.223 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 = 1.035 (BCF = 10.85) log Kow used: 2.25 (estimated) Volatilization from Water: Henry LC: 3.99E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 161.3 hours (6.721 days) Half-Life from Model Lake : 1851 hours (77.13 days) Removal In Wastewater Treatment: Total removal: 2.77 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.45 percent Total to Air: 0.22 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.308 5.47 1000 Water 26.6 900 1000 Soil 72.9 1.8e+003 1000 Sediment 0.144 8.1e+003 0 Persistence Time: 852 hr
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