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CAS Number:

SMILES : Cc1c(nc(c(n1)CC(C)C)C)CC(C)C

CHEM : 2,5-dimethyl-3,6-bis(2-methylpropyl)pyrazine

MOL FOR: C14 H24 N2

MOL WT : 220.36

------------------------------ 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) = 4.93

Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):

Boiling Pt (deg C): 292.40 (Adapted Stein & Brown method)

Melting Pt (deg C): 80.66 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00086 (Modified Grain method)

VP (Pa, 25 deg C) : 0.115 (Modified Grain method)

Subcooled liquid VP: 0.00292 mm Hg (25 deg C, Mod-Grain method)

: 0.389 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.41):

Water Solubility at 25 deg C (mg/L): 2.116

log Kow used: 4.93 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 19.923 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:

Bond Method : 2.37E-005 atm-m3/mole (2.40E+000 Pa-m3/mole)

Group Method: 3.38E-007 atm-m3/mole (3.42E-002 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: 1.178E-004 atm-m3/mole (1.194E+001 Pa-m3/mole)

VP: 0.00086 mm Hg (source: MPBPVP)

WS: 2.12 mg/L (source: WSKOWWIN)

Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:

Log Kow used: 4.93 (KowWin est)

Log Kaw used: -3.014 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.944

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8613

Biowin2 (Non-Linear Model) : 0.8992

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4128 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2557 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.0716

Biowin6 (MITI Non-Linear Model): 0.0268

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.8010

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): 0.389 Pa (0.00292 mm Hg)

Log Koa (Koawin est ): 7.944

Kp (particle/gas partition coef. (m3/ug)):

Mackay model : 7.71E-006

Octanol/air (Koa) model: 2.16E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000278

Mackay model : 0.000616

Octanol/air (Koa) model: 0.00172

Atmospheric Oxidation (25 deg C) [AopWin v1.92]:

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 10.2394 E-12 cm3/molecule-sec

Half-Life = 1.045 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 12.535 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000447 (Junge-Pankow, Mackay avg)

0.00172 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 7233 L/kg (MCI method)

Log Koc: 3.859 (MCI method)

Koc : 1.123E+004 L/kg (Kow method)

Log Koc: 4.050 (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 = 2.919 (BCF = 830.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.1244 days (HL = 0.7509 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.481 (BCF = 302.5)

Log BAF Arnot-Gobas method (upper trophic) = 2.482 (BAF = 303.3)

log Kow used: 4.93 (estimated)

Volatilization from Water:

Henry LC: 2.37E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 38.19 hours (1.591 days)

Half-Life from Model Lake : 541.1 hours (22.54 days)

Removal In Wastewater Treatment:

Total removal: 75.48 percent

Total biodegradation: 0.66 percent

Total sludge adsorption: 74.55 percent

Total to Air: 0.26 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.873 25.1 1000

Water 15 900 1000

Soil 77.8 1.8e+003 1000

Sediment 6.28 8.1e+003 0

Persistence Time: 1.11e+003 hr

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