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: 32184-48-8
SMILES : Cc1cncc(n1)CC(C)C
CHEM : 2-methyl-6-(2-methylpropyl)pyrazine
MOL FOR: C9 H14 N2
MOL WT : 150.23
------------------------------ 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) = 2.43
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
Boiling Pt (deg C): 217.07 (Adapted Stein & Brown method)
Melting Pt (deg C): 37.08 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.11 (Modified Grain method)
VP (Pa, 25 deg C) : 14.7 (Modified Grain method)
Subcooled liquid VP: 0.141 mm Hg (25 deg C, Mod-Grain method)
: 18.8 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.42):
Water Solubility at 25 deg C (mg/L): 630.9
log Kow used: 2.43 (estimated)
no-melting pt equation used
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 3719.7 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 8.32E-006 atm-m3/mole (8.43E-001 Pa-m3/mole)
Group Method: 4.77E-008 atm-m3/mole (4.83E-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: 3.446E-005 atm-m3/mole (3.492E+000 Pa-m3/mole)
VP: 0.11 mm Hg (source: MPBPVP)
WS: 631 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 2.43 (KowWin est)
Log Kaw used: -3.468 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 5.898
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.7854
Biowin2 (Non-Linear Model) : 0.8839
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.7175 (weeks-months)
Biowin4 (Primary Survey Model) : 3.4939 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.2176
Biowin6 (MITI Non-Linear Model): 0.1901
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): -0.1733
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): 18.8 Pa (0.141 mm Hg)
Log Koa (Koawin est ): 5.898
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 1.6E-007
Octanol/air (Koa) model: 1.94E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 5.76E-006
Mackay model : 1.28E-005
Octanol/air (Koa) model: 1.55E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 5.4976 E-12 cm3/molecule-sec
Half-Life = 1.946 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 23.347 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
9.26E-006 (Junge-Pankow, Mackay avg)
1.55E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 506.4 L/kg (MCI method)
Log Koc: 2.705 (MCI method)
Koc : 465.2 L/kg (Kow method)
Log Koc: 2.668 (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 = 1.273 (BCF = 18.77 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -0.4099 days (HL = 0.3892 days)
Log BCF Arnot-Gobas method (upper trophic) = 1.387 (BCF = 24.36)
Log BAF Arnot-Gobas method (upper trophic) = 1.387 (BAF = 24.36)
log Kow used: 2.43 (estimated)
Volatilization from Water:
Henry LC: 8.32E-006 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 87.5 hours (3.646 days)
Half-Life from Model Lake : 1057 hours (44.06 days)
Removal In Wastewater Treatment:
Total removal: 3.36 percent
Total biodegradation: 0.10 percent
Total sludge adsorption: 2.80 percent
Total to Air: 0.46 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 1.34 46.7 1000
Water 18.7 900 1000
Soil 79.5 1.8e+003 1000
Sediment 0.522 8.1e+003 0
Persistence Time: 1.03e+003 hr