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CAS Num: 015986-80-8

SMILES : n(c(c(nc1)CCC)C)c1

CHEM : Pyrazine, 2-methyl-3-propyl-

MOL FOR: C8 H12 N2

MOL WT : 136.20

------------------------------ 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) = 2.02

Log Kow (Exper. database match) = 1.57

Exper. Ref: YAMAGAMI,C ET AL. (1991)

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

Boiling Pt (deg C): 209.41 (Adapted Stein & Brown method)

Melting Pt (deg C): 28.65 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.526 (Modified Grain method)

VP (Pa, 25 deg C) : 70.1 (Modified Grain method)

BP (exp database): 189 deg C

Subcooled liquid VP: 0.566 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 3962

log Kow used: 1.57 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6929.6 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.26E-006 atm-m3/mole (6.35E-001 Pa-m3/mole)

Group Method: 2.81E-008 atm-m3/mole (2.85E-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: 2.379E-005 atm-m3/mole (2.411E+000 Pa-m3/mole)

VP: 0.526 mm Hg (source: MPBPVP)

WS: 3.96E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.57 (exp database)

Log Kaw used: -3.592 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.162

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7920

Biowin2 (Non-Linear Model) : 0.9028

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7485 (weeks-months)

Biowin4 (Primary Survey Model) : 3.5142 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3590

Biowin6 (MITI Non-Linear Model): 0.3695

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0981

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): 75.5 Pa (0.566 mm Hg)

Log Koa (Koawin est ): 5.162

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

Mackay model : 3.98E-008

Octanol/air (Koa) model: 3.56E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.44E-006

Mackay model : 3.18E-006

Octanol/air (Koa) model: 2.85E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 3.3324 E-12 cm3/molecule-sec

Half-Life = 3.210 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 38.516 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.31E-006 (Junge-Pankow, Mackay avg)

2.85E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 337.1 L/kg (MCI method)

Log Koc: 2.528 (MCI method)

Koc : 155.6 L/kg (Kow method)

Log Koc: 2.192 (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 = 0.703 (BCF = 5.045 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.6693 days (HL = 0.2141 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.635 (BCF = 4.318)

Log BAF Arnot-Gobas method (upper trophic) = 0.635 (BAF = 4.318)

log Kow used: 1.57 (expkow database)

Volatilization from Water:

Henry LC: 6.26E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 110.3 hours (4.598 days)

Half-Life from Model Lake : 1302 hours (54.23 days)

Removal In Wastewater Treatment:

Total removal: 2.34 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.90 percent

Total to Air: 0.35 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.73 77 1000

Water 19.5 900 1000

Soil 78.4 1.8e+003 1000

Sediment 0.368 8.1e+003 0

Persistence Time: 1.02e+003 hr

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