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CAS Num: 072797-16-1

SMILES : O(c(nccn1)c1C(C)C)CC

CHEM : Pyrazine, 2-ethoxy-3-(1-methylethyl)-

MOL FOR: C9 H14 N2 O1

MOL WT : 166.22

------------------------------ 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) = 2.86

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):

Boiling Pt (deg C): 236.45 (Adapted Stein & Brown method)

Melting Pt (deg C): 45.12 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0348 (Modified Grain method)

VP (Pa, 25 deg C) : 4.65 (Modified Grain method)

Subcooled liquid VP: 0.0532 mm Hg (25 deg C, Mod-Grain method)

: 7.09 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 229.6

log Kow used: 2.86 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6492.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.07E-006 atm-m3/mole (4.12E-001 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

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

HLC: 3.315E-005 atm-m3/mole (3.359E+000 Pa-m3/mole)

VP: 0.0348 mm Hg (source: MPBPVP)

WS: 230 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 2.86 (KowWin est)

Log Kaw used: -3.779 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.639

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8550

Biowin2 (Non-Linear Model) : 0.9699

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6989 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6165 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4702

Biowin6 (MITI Non-Linear Model): 0.5100

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5291

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): 7.09 Pa (0.0532 mm Hg)

Log Koa (Koawin est ): 6.639

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 4.23E-007

Octanol/air (Koa) model: 1.07E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.53E-005

Mackay model : 3.38E-005

Octanol/air (Koa) model: 8.55E-005

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 11.5004 E-12 cm3/molecule-sec

Half-Life = 0.930 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 11.161 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.46E-005 (Junge-Pankow, Mackay avg)

8.55E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 210.6 L/kg (MCI method)

Log Koc: 2.323 (MCI method)

Koc : 914.9 L/kg (Kow method)

Log Koc: 2.961 (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 = 1.556 (BCF = 36.01 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1452 days (HL = 0.7158 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.788 (BCF = 61.35)

Log BAF Arnot-Gobas method (upper trophic) = 1.788 (BAF = 61.36)

log Kow used: 2.86 (estimated)

Volatilization from Water:

Henry LC: 4.07E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 186.8 hours (7.783 days)

Half-Life from Model Lake : 2146 hours (89.4 days)

Removal In Wastewater Treatment:

Total removal: 4.88 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 4.54 percent

Total to Air: 0.22 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.85 22.3 1000

Water 21.1 900 1000

Soil 77.8 1.8e+003 1000

Sediment 0.259 8.1e+003 0

Persistence Time: 979 hr

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