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CAS Number:

SMILES : CCCc1nc2ccccc2nc1C

CHEM : 2-methyl-3-propylquinoxaline

MOL FOR: C12 H14 N2

MOL WT : 186.26

------------------------------ 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) = 3.19

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

Boiling Pt (deg C): 311.55 (Adapted Stein & Brown method)

Melting Pt (deg C): 95.96 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000216 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0288 (Modified Grain method)

Subcooled liquid VP: 0.00105 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 96.23

log Kow used: 3.19 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 167.89 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.12E-007 atm-m3/mole (6.20E-002 Pa-m3/mole)

Group Method: 2.68E-008 atm-m3/mole (2.72E-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: 5.501E-007 atm-m3/mole (5.574E-002 Pa-m3/mole)

VP: 0.000216 mm Hg (source: MPBPVP)

WS: 96.2 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.19 (KowWin est)

Log Kaw used: -4.602 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.792

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7682

Biowin2 (Non-Linear Model) : 0.8202

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6379 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4420 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2265

Biowin6 (MITI Non-Linear Model): 0.1494

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0928

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): 0.14 Pa (0.00105 mm Hg)

Log Koa (Koawin est ): 7.792

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

Mackay model : 2.14E-005

Octanol/air (Koa) model: 1.52E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000773

Mackay model : 0.00171

Octanol/air (Koa) model: 0.00121

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 8.8261 E-12 cm3/molecule-sec

Half-Life = 1.212 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 14.542 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00124 (Junge-Pankow, Mackay avg)

0.00121 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3571 L/kg (MCI method)

Log Koc: 3.553 (MCI method)

Koc : 1225 L/kg (Kow method)

Log Koc: 3.088 (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 = 1.774 (BCF = 59.39 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9218 days (HL = 0.1197 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.582 (BCF = 38.21)

Log BAF Arnot-Gobas method (upper trophic) = 1.582 (BAF = 38.21)

log Kow used: 3.19 (estimated)

Volatilization from Water:

Henry LC: 6.12E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1307 hours (54.46 days)

Half-Life from Model Lake : 1.437E+004 hours (598.9 days)

Removal In Wastewater Treatment:

Total removal: 7.70 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 7.53 percent

Total to Air: 0.03 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.731 29.1 1000

Water 16.1 900 1000

Soil 79.8 1.8e+003 1000

Sediment 3.31 8.1e+003 0

Persistence Time: 1.19e+003 hr

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