SMILES : O(c(nccn1)c1C)CC
CHEM : Pyrazine, 2-ethoxy-3-methyl-
CAS NUM: 032737-14-7
MOL FOR: C7 H10 N2 O1
MOL WT : 138.17
------------------------------ EPI SUMMARY (v3.20) --------------------------
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) = 1.95
Log Kow (Exper. database match) = 1.82
Exper. Ref: Yamagami,C et al. (1990)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
Boiling Pt (deg C): 210.16 (Adapted Stein & Brown method)
Melting Pt (deg C): 31.72 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.174 (Modified Grain method)
Subcooled liquid VP: 0.199 mm Hg (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 2378
log Kow used: 1.82 (expkow database)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 38189 mg/L
ECOSAR Class Program (ECOSAR v0.99h):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
Bond Method : 2.31E-006 atm-m3/mole
Group Method: Incomplete
Henrys LC [VP/WSol estimate using EPI values]: 1.330E-005 atm-m3/mole
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.82 (exp database)
Log Kaw used: -4.025 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.845
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.8683
Biowin2 (Non-Linear Model) : 0.9796
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7609 (weeks )
Biowin4 (Primary Survey Model) : 3.6570 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.6040
Biowin6 (MITI Non-Linear Model): 0.7018
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.3979
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): 26.5 Pa (0.199 mm Hg)
Log Koa (Koawin est ): 5.845
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.13E-007
Octanol/air (Koa) model: 1.72E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 4.08E-006
Mackay model : 9.05E-006
Octanol/air (Koa) model: 1.37E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 9.4189 E-12 cm3/molecule-sec
Half-Life = 1.136 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 13.627 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi): 6.56E-006 (Junge,Mackay)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (PCKOCWIN v1.66):
Koc : 38.93
Log Koc: 1.590
Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
Rate constants can NOT be estimated for this structure!
Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
Log BCF from regression-based method = 0.701 (BCF = 5.028)
log Kow used: 1.82 (expkow database)
Volatilization from Water:
Henry LC: 2.31E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 450.3 hours (18.76 days)
Half-Life from Model Lake : 3362 hours (140.1 days)
Removal In Wastewater Treatment:
Total removal: 2.24 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 2.01 percent
Total to Air: 0.13 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.29 27.3 1000
Water 33.4 360 1000
Soil 64.2 720 1000
Sediment 0.0989 3.24e+003 0
Persistence Time: 416 hr