This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
also you can go back to the Datasheet
CAS Number: 6924-68-1
SMILES : n1c(C(=O)OCC)cncc1
CHEM : 2-Ethylpyrazine carboxylate
MOL FOR: C7 H8 N2 O2
MOL WT : 152.15
------------------------------ EPI SUMMARY (v4.00) --------------------------
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 v1.67 estimate) = 0.27
Log Kow (Exper. database match) = 0.28
Exper. Ref: YAMAGAMI,C ET AL. (1990A)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 233.16 (Adapted Stein & Brown method)
Melting Pt (deg C): 43.69 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0425 (Modified Grain method)
VP (Pa, 25 deg C) : 5.66 (Modified Grain method)
Subcooled liquid VP: 0.0628 mm Hg (25 deg C, Mod-Grain method)
: 8.38 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 4.28e+004
log Kow used: 0.28 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 4.4852e+005 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Esters
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.50E-008 atm-m3/mole (2.53E-003 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: 1.988E-007 atm-m3/mole (2.014E-002 Pa-m3/mole)
VP: 0.0425 mm Hg (source: MPBPVP)
WS: 4.28E+004 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 0.28 (exp database)
Log Kaw used: -5.991 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.271
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8493
Biowin2 (Non-Linear Model) : 0.9928
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 3.0031 (weeks )
Biowin4 (Primary Survey Model) : 3.8572 (days )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6777
Biowin6 (MITI Non-Linear Model): 0.8004
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.6681
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): 8.37 Pa (0.0628 mm Hg)
Log Koa (Koawin est ): 6.271
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 3.58E-007
Octanol/air (Koa) model: 4.58E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.29E-005
Mackay model : 2.87E-005
Octanol/air (Koa) model: 3.67E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 1.7360 E-12 cm3/molecule-sec
Half-Life = 6.161 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 73.934 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.08E-005 (Junge-Pankow, Mackay avg)
3.67E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 31.01 L/kg (MCI method)
Log Koc: 1.491 (MCI method)
Koc : 25.87 L/kg (Kow method)
Log Koc: 1.413 (Kow method)
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
Total Kb for pH > 8 at 25 deg C : 3.776E-002 L/mol-sec
Kb Half-Life at pH 8: 212.462 days
Kb Half-Life at pH 7: 5.817 years
(Total Kb applies only to esters, carbmates, alkyl halides)
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) = -1.5333 days (HL = 0.02929 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.001 (BCF = 1.002)
Log BAF Arnot-Gobas method (upper trophic) = 0.001 (BAF = 1.002)
log Kow used: 0.28 (expkow database)
Volatilization from Water:
Henry LC: 2.5E-008 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2.889E+004 hours (1204 days)
Half-Life from Model Lake : 3.153E+005 hours (1.314E+004 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 0.445 148 1000
Water 24.9 360 1000
Soil 74.6 720 1000
Sediment 0.0777 3.24e+003 0
Persistence Time: 662 hr