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 Num: 000091-19-0
SMILES : n(c(c(nc1)ccc2)c2)c1
CHEM : Quinoxaline
MOL FOR: C8 H6 N2
MOL WT : 130.15
------------------------------ EPI SUMMARY (v4.00) --------------------------
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) = 1.12
Log Kow (Exper. database match) = 1.32
Exper. Ref: HANSCH,C ET AL. (1995)
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
Boiling Pt (deg C): 248.51 (Adapted Stein & Brown method)
Melting Pt (deg C): 57.28 (Mean or Weighted MP)
VP(mm Hg,25 deg C): 0.0711 (Modified Grain method)
VP (Pa, 25 deg C) : 9.48 (Modified Grain method)
MP (exp database): 28 deg C
BP (exp database): 229.5 deg C
Subcooled liquid VP: 0.0756 mm Hg (25 deg C, Mod-Grain method)
: 10.1 Pa (25 deg C, Mod-Grain method)
Water Solubility Estimate from Log Kow (WSKOW v1.41):
Water Solubility at 25 deg C (mg/L): 6850
log Kow used: 1.32 (expkow database)
no-melting pt equation used
Water Sol (Exper. database match) = 6.6e+005 mg/L (25 deg C)
Exper. Ref: PEARLMAN,RS ET AL. (1984)
Water Sol Estimate from Fragments:
Wat Sol (v1.01 est) = 15635 mg/L
ECOSAR Class Program (ECOSAR v1.00):
Class(es) found:
Neutral Organics
Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
Bond Method : 2.85E-007 atm-m3/mole (2.89E-002 Pa-m3/mole)
Group Method: 6.43E-009 atm-m3/mole (6.52E-004 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: 1.777E-006 atm-m3/mole (1.801E-001 Pa-m3/mole)
VP: 0.0711 mm Hg (source: MPBPVP)
WS: 6.85E+003 mg/L (source: WSKOWWIN)
Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
Log Kow used: 1.32 (exp database)
Log Kaw used: -4.934 (HenryWin est)
Log Koa (KOAWIN v1.10 estimate): 6.254
Log Koa (experimental database): None
Probability of Rapid Biodegradation (BIOWIN v4.10):
Biowin1 (Linear Model) : 0.6856
Biowin2 (Non-Linear Model) : 0.7614
Expert Survey Biodegradation Results:
Biowin3 (Ultimate Survey Model): 2.9116 (weeks )
Biowin4 (Primary Survey Model) : 3.6600 (days-weeks )
MITI Biodegradation Probability:
Biowin5 (MITI Linear Model) : 0.3743
Biowin6 (MITI Non-Linear Model): 0.3750
Anaerobic Biodegradation Probability:
Biowin7 (Anaerobic Linear Model): 0.2635
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): 10.1 Pa (0.0756 mm Hg)
Log Koa (Koawin est ): 6.254
Kp (particle/gas partition coef. (m3/ug)):
Mackay model : 2.98E-007
Octanol/air (Koa) model: 4.41E-007
Fraction sorbed to airborne particulates (phi):
Junge-Pankow model : 1.07E-005
Mackay model : 2.38E-005
Octanol/air (Koa) model: 3.52E-005
Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
Hydroxyl Radicals Reaction:
OVERALL OH Rate Constant = 2.0000 E-12 cm3/molecule-sec
Half-Life = 5.348 Days (12-hr day; 1.5E6 OH/cm3)
Half-Life = 64.176 Hrs
Ozone Reaction:
No Ozone Reaction Estimation
Fraction sorbed to airborne particulates (phi):
1.73E-005 (Junge-Pankow, Mackay avg)
3.52E-005 (Koa method)
Note: the sorbed fraction may be resistant to atmospheric oxidation
Soil Adsorption Coefficient (KOCWIN v2.00):
Koc : 391.1 L/kg (MCI method)
Log Koc: 2.592 (MCI method)
Koc : 113.2 L/kg (Kow method)
Log Koc: 2.054 (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 = 0.538 (BCF = 3.451 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.0226 days (HL = 0.09494 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.413 (BCF = 2.588)
Log BAF Arnot-Gobas method (upper trophic) = 0.413 (BAF = 2.588)
log Kow used: 1.32 (expkow database)
Volatilization from Water:
Henry LC: 2.85E-007 atm-m3/mole (estimated by Bond SAR Method)
Half-Life from Model River: 2345 hours (97.7 days)
Half-Life from Model Lake : 2.568E+004 hours (1070 days)
Removal In Wastewater Treatment:
Total removal: 1.95 percent
Total biodegradation: 0.09 percent
Total sludge adsorption: 1.84 percent
Total to Air: 0.02 percent
(using 10000 hr Bio P,A,S)
Level III Fugacity Model:
Mass Amount Half-Life Emissions
(percent) (hr) (kg/hr)
Air 2.27 128 1000
Water 21.1 360 1000
Soil 76.3 720 1000
Sediment 0.339 3.24e+003 0
Persistence Time: 588 hr