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CAS Num: 014667-55-1

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

CHEM : Pyrazine, trimethyl-

MOL FOR: C7 H10 N2

MOL WT : 122.17

------------------------------ 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) = 1.58

Log Kow (Exper. database match) = 0.95

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

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

Boiling Pt (deg C): 189.47 (Adapted Stein & Brown method)

Melting Pt (deg C): 20.23 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.45 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 194 (Mean VP of Antoine & Grain methods)

BP (exp database): 171.5 deg C

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

Water Solubility at 25 deg C (mg/L): 1.521e+004

log Kow used: 0.95 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 21988 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 3.92E-006 atm-m3/mole (3.97E-001 Pa-m3/mole)

Group Method: 1.77E-008 atm-m3/mole (1.80E-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: 1.532E-005 atm-m3/mole (1.553E+000 Pa-m3/mole)

VP: 1.45 mm Hg (source: MPBPVP)

WS: 1.52E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.95 (exp database)

Log Kaw used: -3.795 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.745

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8534

Biowin2 (Non-Linear Model) : 0.9528

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7046 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4659 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4813

Biowin6 (MITI Non-Linear Model): 0.5101

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3747

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): 176 Pa (1.32 mm Hg)

Log Koa (Koawin est ): 4.745

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

Mackay model : 1.7E-008

Octanol/air (Koa) model: 1.36E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.16E-007

Mackay model : 1.36E-006

Octanol/air (Koa) model: 1.09E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 2.3295 E-12 cm3/molecule-sec

Half-Life = 4.591 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 55.098 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

9.9E-007 (Junge-Pankow, Mackay avg)

1.09E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 155.6 L/kg (MCI method)

Log Koc: 2.192 (MCI method)

Koc : 70.63 L/kg (Kow method)

Log Koc: 1.849 (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) = -1.0193 days (HL = 0.09565 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.214 (BCF = 1.635)

Log BAF Arnot-Gobas method (upper trophic) = 0.214 (BAF = 1.635)

log Kow used: 0.95 (expkow database)

Volatilization from Water:

Henry LC: 3.92E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 166.2 hours (6.926 days)

Half-Life from Model Lake : 1906 hours (79.41 days)

Removal In Wastewater Treatment:

Total removal: 2.10 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.79 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 2.05 110 1000

Water 21.9 900 1000

Soil 75.8 1.8e+003 1000

Sediment 0.208 8.1e+003 0

Persistence Time: 986 hr

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