2-Ethyl-3-methoxypyrazine
CCc1c(nccn1)OC
InChI=1S/C7H10N2O/c1-3-6-7(10-2)9-5-4-8-6/h4-5H,3H2,1-2H3
DPCILIMHENXHQX-UHFFFAOYSA-N
CSID:30627, http://www.chemspider.com/Chemical-Structure.30627.html (accessed 11:26, Apr 19, 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) = 1.95 Log Kow (Exper. database match) = 1.80 Exper. Ref: Yamagami,C et al. (1990) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 210.16 (Adapted Stein & Brown method) Melting Pt (deg C): 31.72 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.174 (Modified Grain method) Subcooled liquid VP: 0.199 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): 2474 log Kow used: 1.80 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 38189 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.31E-006 atm-m3/mole Group Method: Incomplete Exper Database: 1.47E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.279E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.80 (exp database) Log Kaw used: -3.221 (exp database) Log Koa (KOAWIN v1.10 estimate): 5.021 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8683 Biowin2 (Non-Linear Model) : 0.9796 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7609 (weeks ) Biowin4 (Primary Survey Model) : 3.6570 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4579 Biowin6 (MITI Non-Linear Model): 0.5035 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5423 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): 26.5 Pa (0.199 mm Hg) Log Koa (Koawin est ): 5.021 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.13E-007 Octanol/air (Koa) model: 2.58E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.08E-006 Mackay model : 9.05E-006 Octanol/air (Koa) model: 2.06E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.0212 E-12 cm3/molecule-sec Half-Life = 2.130 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.562 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.56E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 40.78 Log Koc: 1.610 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 = 0.686 (BCF = 4.853) log Kow used: 1.80 (expkow database) Volatilization from Water: Henry LC: 1.47E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 48.02 hours (2.001 days) Half-Life from Model Lake : 622.4 hours (25.93 days) Removal In Wastewater Treatment: Total removal: 2.90 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.99 percent Total to Air: 0.81 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.96 51.1 1000 Water 33.5 360 1000 Soil 62.5 720 1000 Sediment 0.0975 3.24e+003 0 Persistence Time: 398 hr
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