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CAS Num: 000290-37-9
SMILES : n(ccnc1)c1
CHEM : Pyrazine
MOL FOR: C4 H4 N2
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