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CAS Number: 63450-30-6

SMILES : COCc1cnccn1

CHEM : Pyrazine, methoxymethyl-

MOL FOR: C6 H8 N2 O1

MOL WT : 124.14

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

Physical Property Inputs:

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

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

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

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

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

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

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.67 estimate) = -0.28

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

Boiling Pt (deg C): 190.28 (Adapted Stein & Brown method)

Melting Pt (deg C): 23.61 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.584 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 77.9 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1.673e+005

log Kow used: -0.28 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1e+006 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.77E-008 atm-m3/mole (3.82E-003 Pa-m3/mole)

Group Method: 1.04E-011 atm-m3/mole (1.06E-006 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: 5.702E-007 atm-m3/mole (5.777E-002 Pa-m3/mole)

VP: 0.584 mm Hg (source: MPBPVP)

WS: 1.67E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.28 (KowWin est)

Log Kaw used: -5.812 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.532

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.3411

Biowin2 (Non-Linear Model) : 0.1012

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9162 (weeks )

Biowin4 (Primary Survey Model) : 3.6589 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3137

Biowin6 (MITI Non-Linear Model): 0.2870

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2056

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): 70.9 Pa (0.532 mm Hg)

Log Koa (Koawin est ): 5.532

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

Mackay model : 4.23E-008

Octanol/air (Koa) model: 8.36E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.53E-006

Mackay model : 3.38E-006

Octanol/air (Koa) model: 6.68E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 7.0985 E-12 cm3/molecule-sec

Half-Life = 1.507 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 18.082 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.46E-006 (Junge-Pankow, Mackay avg)

6.68E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 27.68 L/kg (MCI method)

Log Koc: 1.442 (MCI method)

Koc : 11.97 L/kg (Kow method)

Log Koc: 1.078 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2564 days (HL = 0.05542 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.031 (BCF = 0.9318)

Log BAF Arnot-Gobas method (upper trophic) = -0.031 (BAF = 0.9318)

log Kow used: -0.28 (estimated)

Volatilization from Water:

Henry LC: 3.77E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.73E+004 hours (721 days)

Half-Life from Model Lake : 1.889E+005 hours (7870 days)

Removal In Wastewater Treatment:

Total removal: 1.85 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.76 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.584 36.2 1000

Water 26.6 360 1000

Soil 72.7 720 1000

Sediment 0.0795 3.24e+003 0

Persistence Time: 606 hr

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