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CAS Num: 065504-94-1
SMILES : CCOCc1cnccn1
CHEM : Pyrazine, 2-ethoxymethyl-
MOL FOR: C7 H10 N2 O1
MOL WT : 138.17
------------------------------ 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) = 0.21
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 210.17 (Adapted Stein & Brown method)
Melting Pt (deg C): 35.11 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.162 (Modified Grain method)
VP (Pa, 25 deg C) : 21.6 (Modified Grain method)
Subcooled liquid VP: 0.199 mm Hg (25 deg C, Mod-Grain method)
: 26.6 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 5.605e+004
log Kow used: 0.21 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.4352e+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 : 5.00E-008 atm-m3/mole (5.07E-003 Pa-m3/mole)
Group Method: 1.41E-011 atm-m3/mole (1.43E-006 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: 5.255E-007 atm-m3/mole (5.324E-002 Pa-m3/mole)
VP: 0.162 mm Hg (source: MPBPVP)
WS: 5.61E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.21 (KowWin est)
Log Kaw used: -5.689 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.899
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.3344
Biowin2 (Non-Linear Model) : 0.0845
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.8852 (weeks )
Biowin4 (Primary Survey Model) : 3.6387 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3213
Biowin6 (MITI Non-Linear Model): 0.2920
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2316
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): 26.5 Pa (0.199 mm Hg)
Log Koa (Koawin est ): 5.899
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.13E-007
Octanol/air (Koa) model: 1.95E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.08E-006
Mackay model : 9.05E-006
Octanol/air (Koa) model: 1.56E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 12.4423 E-12 cm3/molecule-sec
Half-Life = 0.860 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 10.316 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
6.56E-006 (Junge-Pankow, Mackay avg)
1.56E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 50.44 L/kg (MCI method)
Log Koc: 1.703 (MCI method)
Koc : 22.34 L/kg (Kow method)
Log Koc: 1.349 (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) = -1.1172 days (HL = 0.07635 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.010 (BCF = 1.024)
Log BAF Arnot-Gobas method (upper trophic) = 0.010 (BAF = 1.024)
log Kow used: 0.21 (estimated)
Volatilization from Water:
Henry LC: 5E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 1.377E+004 hours (573.6 days)
Half-Life from Model Lake : 1.503E+005 hours (6261 days)
Removal In Wastewater Treatment:
Total removal: 1.86 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.76 percent
Total to Air: 0.00 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 0.612 20.6 1000
Water 24.8 360 1000
Soil 74.5 720 1000
Sediment 0.097 3.24e+003 0
Persistence Time: 585 hr