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CAS Number: 18433-97-1

SMILES : n(c(c(nc1C)CCC)C)c1

CHEM : Pyrazine, 2,5-dimethyl-3-propyl-

MOL FOR: C9 H14 N2

MOL WT : 150.23

------------------------------ 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) = 2.56

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

Boiling Pt (deg C): 228.43 (Adapted Stein & Brown method)

Melting Pt (deg C): 42.93 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0549 (Modified Grain method)

VP (Pa, 25 deg C) : 7.31 (Modified Grain method)

Subcooled liquid VP: 0.0798 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 488.9

log Kow used: 2.56 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 2279.9 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.91E-006 atm-m3/mole (7.00E-001 Pa-m3/mole)

Group Method: 3.88E-008 atm-m3/mole (3.93E-003 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: 2.220E-005 atm-m3/mole (2.249E+000 Pa-m3/mole)

VP: 0.0549 mm Hg (source: MPBPVP)

WS: 489 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.56 (KowWin est)

Log Kaw used: -3.549 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.109

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8400

Biowin2 (Non-Linear Model) : 0.9313

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6426 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4254 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3505

Biowin6 (MITI Non-Linear Model): 0.3203

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1783

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): 10.6 Pa (0.0798 mm Hg)

Log Koa (Koawin est ): 6.109

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

Mackay model : 2.82E-007

Octanol/air (Koa) model: 3.16E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.02E-005

Mackay model : 2.26E-005

Octanol/air (Koa) model: 2.52E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 4.5659 E-12 cm3/molecule-sec

Half-Life = 2.343 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 28.111 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.64E-005 (Junge-Pankow, Mackay avg)

2.52E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 540.9 L/kg (MCI method)

Log Koc: 2.733 (MCI method)

Koc : 549 L/kg (Kow method)

Log Koc: 2.740 (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 = 1.359 (BCF = 22.85 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5752 days (HL = 0.266 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.449 (BCF = 28.13)

Log BAF Arnot-Gobas method (upper trophic) = 1.449 (BAF = 28.13)

log Kow used: 2.56 (estimated)

Volatilization from Water:

Henry LC: 6.91E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 105.1 hours (4.379 days)

Half-Life from Model Lake : 1249 hours (52.06 days)

Removal In Wastewater Treatment:

Total removal: 3.65 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 3.17 percent

Total to Air: 0.38 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.45 56.2 1000

Water 18.6 900 1000

Soil 79.4 1.8e+003 1000

Sediment 0.556 8.1e+003 0

Persistence Time: 1.04e+003 hr

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