2-Ethylquinazoline
CCc1ncc2ccccc2n1
InChI=1S/C10H10N2/c1-2-10-11-7-8-5-3-4-6-9(8)12-10/h3-7H,2H2,1H3
ASVSCPGASITWDJ-UHFFFAOYSA-N
CSID:2338616, http://www.chemspider.com/Chemical-Structure.2338616.html (accessed 15:52, Mar 29, 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) = 2.15 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 281.84 (Adapted Stein & Brown method) Melting Pt (deg C): 74.18 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00174 (Modified Grain method) Subcooled liquid VP: 0.00509 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): 1008 log Kow used: 2.15 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1646.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.17E-007 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.593E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.15 (KowWin est) Log Kaw used: -4.768 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 6.918 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7269 Biowin2 (Non-Linear Model) : 0.7924 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7747 (weeks ) Biowin4 (Primary Survey Model) : 3.5510 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2273 Biowin6 (MITI Non-Linear Model): 0.1757 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1576 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): 0.679 Pa (0.00509 mm Hg) Log Koa (Koawin est ): 6.918 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.42E-006 Octanol/air (Koa) model: 2.03E-006 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.00016 Mackay model : 0.000354 Octanol/air (Koa) model: 0.000163 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.0710 E-12 cm3/molecule-sec Half-Life = 1.762 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 21.142 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000257 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 623.2 Log Koc: 2.795 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 = 0.959 (BCF = 9.1) log Kow used: 2.15 (estimated) Volatilization from Water: Henry LC: 4.17E-007 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1767 hours (73.64 days) Half-Life from Model Lake : 1.938E+004 hours (807.7 days) Removal In Wastewater Treatment: Total removal: 2.43 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.31 percent Total to Air: 0.02 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.1 42.3 1000 Water 27.5 360 1000 Soil 70.3 720 1000 Sediment 0.116 3.24e+003 0 Persistence Time: 491 hr
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