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CAS Num: 000290-37-9

SMILES : n(ccnc1)c1

CHEM : Pyrazine


MOL WT : 80.09

------------------------------ 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) = -0.06

Log Kow (Exper. database match) = -0.26

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

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

Boiling Pt (deg C): 124.28 (Adapted Stein & Brown method)

Melting Pt (deg C): -11.22 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 9.66 (Modified Grain method)

VP (Pa, 25 deg C) : 1.29E+003 (Modified Grain method)

MP (exp database): 55 deg C

BP (exp database): 115 deg C

VP (exp database): 1.08E+01 mm Hg (1.44E+003 Pa) at 25 deg C

Subcooled liquid VP: 21.4 mm Hg (25 deg C, exp database VP )

: 2.85E+003 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 2.181e+005

log Kow used: -0.26 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.4309e+005 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.92E-006 atm-m3/mole (2.96E-001 Pa-m3/mole)

Group Method: 6.74E-009 atm-m3/mole (6.83E-004 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: 4.668E-006 atm-m3/mole (4.729E-001 Pa-m3/mole)

VP: 9.66 mm Hg (source: MPBPVP)

WS: 2.18E+005 mg/L (source: WSKOWWIN)

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

Log Kow used: -0.26 (exp database)

Log Kaw used: -3.923 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.663

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7094

Biowin2 (Non-Linear Model) : 0.8666

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0222 (weeks )

Biowin4 (Primary Survey Model) : 3.7322 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5067

Biowin6 (MITI Non-Linear Model): 0.6669

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4544

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 2.85E+003 Pa (21.4 mm Hg)

Log Koa (Koawin est ): 3.663

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

Mackay model : 1.05E-009

Octanol/air (Koa) model: 1.13E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.8E-008

Mackay model : 8.41E-008

Octanol/air (Koa) model: 9.04E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 0.2300 E-12 cm3/molecule-sec

Half-Life = 46.504 Days (12-hr day; 1.5E6 OH/cm3)

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

6.1E-008 (Junge-Pankow, Mackay avg)

9.04E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 36.92 L/kg (MCI method)

Log Koc: 1.567 (MCI method)

Koc : 15.13 L/kg (Kow method)

Log Koc: 1.180 (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) = -0.7568 days (HL = 0.175 days)

Log BCF Arnot-Gobas method (upper trophic) = -0.025 (BCF = 0.9444)

Log BAF Arnot-Gobas method (upper trophic) = -0.025 (BAF = 0.9444)

log Kow used: -0.26 (expkow database)

Volatilization from Water:

Henry LC: 2.92E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 180.4 hours (7.515 days)

Half-Life from Model Lake : 2043 hours (85.11 days)

Removal In Wastewater Treatment:

Total removal: 2.01 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.75 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 6.34 1.12e+003 1000

Water 30.2 360 1000

Soil 63.4 720 1000

Sediment 0.102 3.24e+003 0

Persistence Time: 461 hr

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