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CAS Number: 32736-90-6

SMILES : C=Cc1nc(cnc1)CC

CHEM : 2-ETHYL-6-VINYLPYRAZINE

MOL FOR: C8 H10 N2

MOL WT : 134.18

------------------------------ EPI SUMMARY (v4.10) --------------------------

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 v1.68 estimate) = 1.88

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

Boiling Pt (deg C): 207.95 (Adapted Stein & Brown method)

Melting Pt (deg C): 34.18 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.184 (Modified Grain method)

VP (Pa, 25 deg C) : 24.6 (Modified Grain method)

Subcooled liquid VP: 0.223 mm Hg (25 deg C, Mod-Grain method)

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

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 2192

log Kow used: 1.88 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 7063.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.19E-006 atm-m3/mole (2.22E-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: 1.482E-005 atm-m3/mole (1.502E+000 Pa-m3/mole)

VP: 0.184 mm Hg (source: MPBPVP)

WS: 2.19E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.88 (KowWin est)

Log Kaw used: -4.048 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.928

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7383

Biowin2 (Non-Linear Model) : 0.8430

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8278 (weeks )

Biowin4 (Primary Survey Model) : 3.5856 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2927

Biowin6 (MITI Non-Linear Model): 0.2446

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2233

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): 29.7 Pa (0.223 mm Hg)

Log Koa (Koawin est ): 5.928

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

Mackay model : 1.01E-007

Octanol/air (Koa) model: 2.08E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.64E-006

Mackay model : 8.07E-006

Octanol/air (Koa) model: 1.66E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 27.9386 E-12 cm3/molecule-sec

Half-Life = 0.383 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.594 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec

Half-Life = 0.546 Days (at 7E11 mol/cm3)

Half-Life = 13.097 Hrs

Fraction sorbed to airborne particulates (phi):

5.86E-006 (Junge-Pankow, Mackay avg)

1.66E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 345.8 L/kg (MCI method)

Log Koc: 2.539 (MCI method)

Koc : 230.9 L/kg (Kow method)

Log Koc: 2.363 (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 v3.01):

Log BCF from regression-based method = 0.908 (BCF = 8.088 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3872 days (HL = 0.41 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.915 (BCF = 8.23)

Log BAF Arnot-Gobas method (upper trophic) = 0.915 (BAF = 8.23)

log Kow used: 1.88 (estimated)

Volatilization from Water:

Henry LC: 2.19E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 310.9 hours (12.95 days)

Half-Life from Model Lake : 3488 hours (145.3 days)

Removal In Wastewater Treatment:

Total removal: 2.27 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.05 percent

Total to Air: 0.12 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.528 5.4 1000

Water 25.5 360 1000

Soil 73.6 720 1000

Sediment 0.372 3.24e+003 0

Persistence Time: 458 hr

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