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CAS Number: 980-26-7

SMILES : O=C(c(c(Nc1cc(c(Nc(c2cc(c3)C)c3)c4)C2(=O))ccc5C)c5)c14

CHEM : Quino[2,3-b]acridine-7,14-dione, 5,12-dihydro-2,9-dimethyl-

MOL FOR: C22 H16 N2 O2

MOL WT : 340.38

------------------------------ 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) = 2.47

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

Boiling Pt (deg C): 535.83 (Adapted Stein & Brown method)

Melting Pt (deg C): 229.34 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.14E-011 (Modified Grain method)

VP (Pa, 25 deg C) : 2.86E-009 (Modified Grain method)

Subcooled liquid VP: 3.36E-009 mm Hg (25 deg C, Mod-Grain method)

: 4.48E-007 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 4.258

log Kow used: 2.47 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.0072302 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 6.68E-016 atm-m3/mole (6.77E-011 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 2.251E-012 atm-m3/mole (2.281E-007 Pa-m3/mole)

VP: 2.14E-011 mm Hg (source: MPBPVP)

WS: 4.26 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.47 (KowWin est)

Log Kaw used: -13.564 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 16.034

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.2410

Biowin2 (Non-Linear Model) : 0.0045

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 1.9824 (months )

Biowin4 (Primary Survey Model) : 2.9584 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : -0.2317

Biowin6 (MITI Non-Linear Model): 0.0015

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -2.0103

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): 4.48E-007 Pa (3.36E-009 mm Hg)

Log Koa (Koawin est ): 16.034

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

Mackay model : 6.7

Octanol/air (Koa) model: 2.65E+003

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.996

Mackay model : 0.998

Octanol/air (Koa) model: 1

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 200.2720 E-12 cm3/molecule-sec

Half-Life = 0.053 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.641 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.997 (Junge-Pankow, Mackay avg)

1 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 6564 L/kg (MCI method)

Log Koc: 3.817 (MCI method)

Koc : 435.8 L/kg (Kow method)

Log Koc: 2.639 (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 = 0.713 (BCF = 5.16 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -2.5219 days (HL = 0.003007 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.556 (BCF = 3.598)

Log BAF Arnot-Gobas method (upper trophic) = 0.556 (BAF = 3.598)

log Kow used: 2.47 (estimated)

Volatilization from Water:

Henry LC: 6.68E-016 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.617E+012 hours (6.738E+010 days)

Half-Life from Model Lake : 1.764E+013 hours (7.35E+011 days)

Removal In Wastewater Treatment:

Total removal: 3.01 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.91 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.23e-006 1.28 1000

Water 8.21 1.44e+003 1000

Soil 87.7 2.88e+003 1000

Sediment 4.04 1.3e+004 0

Persistence Time: 2.98e+003 hr

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