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2-Ethyl-3-methylpyrazine
CCc1c(nccn1)C
InChI=1S/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
LNIMMWYNSBZESE-UHFFFAOYSA-N
CSID:25551, http://www.chemspider.com/Chemical-Structure.25551.html (accessed 09:20, May 4, 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) = 1.53 Log Kow (Exper. database match) = 1.07 Exper. Ref: Yamagami,C et al. (1991) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 189.48 (Adapted Stein & Brown method) Melting Pt (deg C): 17.11 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.608 (Mean VP of Antoine & Grain methods) BP (exp database): 57 @ 10 mm Hg deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.202e+004 log Kow used: 1.07 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 21405 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.72E-006 atm-m3/mole Group Method: 1.99E-008 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.131E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.07 (exp database) Log Kaw used: -3.715 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.785 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7987 Biowin2 (Non-Linear Model) : 0.9189 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7795 (weeks ) Biowin4 (Primary Survey Model) : 3.5344 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3513 Biowin6 (MITI Non-Linear Model): 0.3638 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0721 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): 73.7 Pa (0.553 mm Hg) Log Koa (Koawin est ): 4.785 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.07E-008 Octanol/air (Koa) model: 1.5E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.47E-006 Mackay model : 3.25E-006 Octanol/air (Koa) model: 1.2E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.9688 E-12 cm3/molecule-sec Half-Life = 5.433 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 65.193 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.36E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 92.8 Log Koc: 1.968 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 = 0.124 (BCF = 1.33) log Kow used: 1.07 (expkow database) Volatilization from Water: Henry LC: 4.72E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 138.2 hours (5.76 days) Half-Life from Model Lake : 1601 hours (66.69 days) Removal In Wastewater Treatment: Total removal: 2.16 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.80 percent Total to Air: 0.27 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.01 130 1000 Water 41.3 360 1000 Soil 52.6 720 1000 Sediment 0.0839 3.24e+003 0 Persistence Time: 380 hr
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