2-Methylquinoline
Cc1ccc2ccccc2n1
InChI=1S/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
SMUQFGGVLNAIOZ-UHFFFAOYSA-N
CSID:13870160, http://www.chemspider.com/Chemical-Structure.13870160.html (accessed 18:50, Apr 18, 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) = 2.69 Log Kow (Exper. database match) = 2.59 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 257.71 (Adapted Stein & Brown method) Melting Pt (deg C): 54.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0328 (Mean VP of Antoine & Grain methods) MP (exp database): -1.5 deg C BP (exp database): 246.5 deg C VP (exp database): 9.46E-03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 498.5 log Kow used: 2.59 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2367.8 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.60E-007 atm-m3/mole Group Method: 2.13E-006 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.240E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.59 (exp database) Log Kaw used: -4.508 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 7.098 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7340 Biowin2 (Non-Linear Model) : 0.8253 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8079 (weeks ) Biowin4 (Primary Survey Model) : 3.5726 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3769 Biowin6 (MITI Non-Linear Model): 0.3589 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1083 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): 1.26 Pa (0.00946 mm Hg) Log Koa (Koawin est ): 7.098 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.38E-006 Octanol/air (Koa) model: 3.08E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 8.59E-005 Mackay model : 0.00019 Octanol/air (Koa) model: 0.000246 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.4189 E-12 cm3/molecule-sec Half-Life = 0.352 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.219 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000138 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2976 Log Koc: 3.474 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 = 1.294 (BCF = 19.69) log Kow used: 2.59 (expkow database) Volatilization from Water: Henry LC: 2.13E-006 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 330.1 hours (13.76 days) Half-Life from Model Lake : 3702 hours (154.2 days) Removal In Wastewater Treatment: Total removal: 3.50 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.27 percent Total to Air: 0.12 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.805 8.44 1000 Water 26.7 360 1000 Soil 72.2 720 1000 Sediment 0.216 3.24e+003 0 Persistence Time: 451 hr
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