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CAS Number: 719-54-0

SMILES : c(ccc1C(=O)c2cc3)cc1N(c2cc3)C

CHEM : 9(10H)-ACRIDINONE, 10-METHYL-

MOL FOR: C14 H11 N1 O1

MOL WT : 209.25

------------------------------ EPI SUMMARY (v4.11) --------------------------

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) = 2.23

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

Boiling Pt (deg C): 344.35 (Adapted Stein & Brown method)

Melting Pt (deg C): 120.14 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.04E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00273 (Modified Grain method)

Subcooled liquid VP: 0.00018 mm Hg (25 deg C, Mod-Grain method)

: 0.0239 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 37.75

log Kow used: 2.23 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6.388 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Neutral Organics

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

Bond Method : 3.52E-008 atm-m3/mole (3.57E-003 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: 1.488E-007 atm-m3/mole (1.508E-002 Pa-m3/mole)

VP: 2.04E-005 mm Hg (source: MPBPVP)

WS: 37.8 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.23 (KowWin est)

Log Kaw used: -5.842 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.072

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4495

Biowin2 (Non-Linear Model) : 0.0667

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.4595 (weeks-months)

Biowin4 (Primary Survey Model) : 3.2356 (weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.1887

Biowin6 (MITI Non-Linear Model): 0.0730

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -1.4737

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): 0.024 Pa (0.00018 mm Hg)

Log Koa (Koawin est ): 8.072

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

Mackay model : 0.000125

Octanol/air (Koa) model: 2.9E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00449

Mackay model : 0.0099

Octanol/air (Koa) model: 0.00231

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 201.2648 E-12 cm3/molecule-sec

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

Half-Life = 0.638 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0072 (Junge-Pankow, Mackay avg)

0.00231 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 187.4 L/kg (MCI method)

Log Koc: 2.273 (MCI method)

Koc : 194.6 L/kg (Kow method)

Log Koc: 2.289 (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 = 0.555 (BCF = 3.587 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1301 days (HL = 0.07411 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.019 (BCF = 10.44)

Log BAF Arnot-Gobas method (upper trophic) = 1.019 (BAF = 10.44)

log Kow used: 2.23 (estimated)

Volatilization from Water:

Henry LC: 3.52E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.406E+004 hours (1003 days)

Half-Life from Model Lake : 2.626E+005 hours (1.094E+004 days)

Removal In Wastewater Treatment:

Total removal: 2.52 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.42 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 0.0512 1.28 1000

Water 20.4 900 1000

Soil 79.3 1.8e+003 1000

Sediment 0.227 8.1e+003 0

Persistence Time: 1.05e+003 hr

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