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CAS Num: 025680-58-4

SMILES : O(c(nccn1)c1CC)C

CHEM : Pyrazine, 2-ethyl-3-methoxy-

MOL FOR: C7 H10 N2 O1

MOL WT : 138.17

------------------------------ EPI SUMMARY (v4.00) --------------------------

Physical Property Inputs:

Water Solubility (mg/L): ------

Vapor Pressure (mm Hg) : ------

Henry LC (atm-m3/mole) : ------

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

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 v1.43):

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)

VP (Pa, 25 deg C) : 23.2 (Modified Grain method)

Subcooled liquid VP: 0.199 mm Hg (25 deg C, Mod-Grain method)

: 26.6 Pa (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 v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.31E-006 atm-m3/mole (2.34E-001 Pa-m3/mole)

Group Method: Incomplete

Exper Database: 1.47E-05 atm-m3/mole (1.49E+000 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.279E-005 atm-m3/mole (1.296E+000 Pa-m3/mole)

VP: 0.174 mm Hg (source: MPBPVP)

WS: 2.47E+003 mg/L (source: WSKOWWIN)

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-Pankow, Mackay avg)

2.06E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 73.88 L/kg (MCI method)

Log Koc: 1.869 (MCI method)

Koc : 237.2 L/kg (Kow method)

Log Koc: 2.375 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.855 (BCF = 7.155 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5430 days (HL = 0.2864 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.833 (BCF = 6.8)

Log BAF Arnot-Gobas method (upper trophic) = 0.833 (BAF = 6.8)

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 3.48 51.1 1000

Water 28.3 360 1000

Soil 68.1 720 1000

Sediment 0.137 3.24e+003 0

Persistence Time: 434 hr

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