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CAS Num: 067845-28-7

SMILES : n1c(C)cncc1OCCC

CHEM : Pyrazine, 2-methyl-6-propoxy-

MOL FOR: C8 H12 N2 O1

MOL WT : 152.20

------------------------------ 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) = 2.45

Log Kow (Exper. database match) = 2.29

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 229.16 (Adapted Stein & Brown method)

Melting Pt (deg C): 42.86 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.053 (Modified Grain method)

VP (Pa, 25 deg C) : 7.06 (Modified Grain method)

Subcooled liquid VP: 0.0769 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 821.8

log Kow used: 2.29 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 12216 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.06E-006 atm-m3/mole (3.10E-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: 1.292E-005 atm-m3/mole (1.309E+000 Pa-m3/mole)

VP: 0.053 mm Hg (source: MPBPVP)

WS: 822 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.29 (exp database)

Log Kaw used: -3.903 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.193

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8617

Biowin2 (Non-Linear Model) : 0.9752

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7299 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6367 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6117

Biowin6 (MITI Non-Linear Model): 0.7069

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4239

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): 10.3 Pa (0.0769 mm Hg)

Log Koa (Koawin est ): 6.193

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

Mackay model : 2.93E-007

Octanol/air (Koa) model: 3.83E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.06E-005

Mackay model : 2.34E-005

Octanol/air (Koa) model: 3.06E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 17.2021 E-12 cm3/molecule-sec

Half-Life = 0.622 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.461 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.7E-005 (Junge-Pankow, Mackay avg)

3.06E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 126.1 L/kg (MCI method)

Log Koc: 2.101 (MCI method)

Koc : 442.7 L/kg (Kow method)

Log Koc: 2.646 (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 = 1.178 (BCF = 15.06 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3758 days (HL = 0.4209 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.270 (BCF = 18.63)

Log BAF Arnot-Gobas method (upper trophic) = 1.270 (BAF = 18.63)

log Kow used: 2.29 (expkow database)

Volatilization from Water:

Henry LC: 3.06E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 237.3 hours (9.888 days)

Half-Life from Model Lake : 2692 hours (112.2 days)

Removal In Wastewater Treatment:

Total removal: 2.79 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.52 percent

Total to Air: 0.17 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.656 14.9 1000

Water 23.3 900 1000

Soil 75.9 1.8e+003 1000

Sediment 0.186 8.1e+003 0

Persistence Time: 931 hr

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