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CAS Number: 38028-70-5
SMILES : n(c(c(nc1)CC(C)C)CC)c1
CHEM : Pyrazine, 2-ethyl-3-(2-methylpropyl)-
MOL FOR: C10 H16 N2
MOL WT : 164.25
------------------------------ EPI SUMMARY (v4.10) --------------------------
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 v1.68 estimate) = 2.93
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 235.74 (Adapted Stein & Brown method)
Melting Pt (deg C): 48.10 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0339 (Modified Grain method)
VP (Pa, 25 deg C) : 4.51 (Modified Grain method)
Subcooled liquid VP: 0.0551 mm Hg (25 deg C, Mod-Grain method)
: 7.35 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 207.6
log Kow used: 2.93 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 1181 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 1.10E-005 atm-m3/mole (1.12E+000 Pa-m3/mole)
Group Method: 7.39E-008 atm-m3/mole (7.48E-003 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: 3.529E-005 atm-m3/mole (3.576E+000 Pa-m3/mole)
VP: 0.0339 mm Hg (source: MPBPVP)
WS: 208 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.93 (KowWin est)
Log Kaw used: -3.347 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.277
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7787
Biowin2 (Non-Linear Model) : 0.8618
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.6865 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4737 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.0791
Biowin6 (MITI Non-Linear Model): 0.0939
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.0029
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): 7.35 Pa (0.0551 mm Hg)
Log Koa (Koawin est ): 6.277
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 4.08E-007
Octanol/air (Koa) model: 4.65E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.47E-005
Mackay model : 3.27E-005
Octanol/air (Koa) model: 3.72E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 5.6671 E-12 cm3/molecule-sec
Half-Life = 1.887 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 22.648 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
2.37E-005 (Junge-Pankow, Mackay avg)
3.72E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 985.7 L/kg (MCI method)
Log Koc: 2.994 (MCI method)
Koc : 879.4 L/kg (Kow method)
Log Koc: 2.944 (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 v3.01):
Log BCF from regression-based method = 1.597 (BCF = 39.57 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.2991 days (HL = 0.5022 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.793 (BCF = 62.13)
Log BAF Arnot-Gobas method (upper trophic) = 1.793 (BAF = 62.13)
log Kow used: 2.93 (estimated)
Volatilization from Water:
Henry LC: 1.1E-005 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 69.52 hours (2.897 days)
Half-Life from Model Lake : 865.9 hours (36.08 days)
Removal In Wastewater Treatment:
Total removal: 5.71 percent
Total biodegradation: 0.12 percent
Total sludge adsorption: 5.00 percent
Total to Air: 0.59 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.3 45.3 1000
Water 17.6 900 1000
Soil 80.1 1.8e+003 1000
Sediment 0.964 8.1e+003 0
Persistence Time: 1.05e+003 hr