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CAS Num: 000941-98-0

SMILES : O=C(c(c(c(ccc1)cc2)c1)c2)C

CHEM : Ethanone, 1-(1-naphthalenyl)-

MOL FOR: C12 H10 O1

MOL WT : 170.21

------------------------------ 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) = 2.85

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

Boiling Pt (deg C): 297.39 (Adapted Stein & Brown method)

Melting Pt (deg C): 66.70 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0019 (Modified Grain method)

VP (Pa, 25 deg C) : 0.253 (Modified Grain method)

MP (exp database): 34 deg C

BP (exp database): 297 deg C

VP (exp database): 3.92E-04 mm Hg (5.23E-002 Pa) at 25 deg C

Subcooled liquid VP: 0.000481 mm Hg (25 deg C, exp database VP )

: 0.0642 Pa (25 deg C, exp database VP )

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

Water Solubility at 25 deg C (mg/L): 226.1

log Kow used: 2.85 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 154.31 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 9.58E-007 atm-m3/mole (9.70E-002 Pa-m3/mole)

Group Method: 7.56E-007 atm-m3/mole (7.66E-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: 1.882E-006 atm-m3/mole (1.907E-001 Pa-m3/mole)

VP: 0.0019 mm Hg (source: MPBPVP)

WS: 226 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.85 (KowWin est)

Log Kaw used: -4.407 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.257

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6733

Biowin2 (Non-Linear Model) : 0.5346

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8005 (weeks )

Biowin4 (Primary Survey Model) : 3.5799 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3814

Biowin6 (MITI Non-Linear Model): 0.3331

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.3034

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): 0.0641 Pa (0.000481 mm Hg)

Log Koa (Koawin est ): 7.257

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

Mackay model : 4.68E-005

Octanol/air (Koa) model: 4.44E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00169

Mackay model : 0.00373

Octanol/air (Koa) model: 0.000355

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.7924 E-12 cm3/molecule-sec

Half-Life = 0.540 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.485 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00271 (Junge-Pankow, Mackay avg)

0.000355 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 560.5 L/kg (MCI method)

Log Koc: 2.749 (MCI method)

Koc : 497.9 L/kg (Kow method)

Log Koc: 2.697 (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 = 0.962 (BCF = 9.164 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.1082 days (HL = 1.283 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.820 (BCF = 66.13)

Log BAF Arnot-Gobas method (upper trophic) = 1.820 (BAF = 66.13)

log Kow used: 2.85 (estimated)

Volatilization from Water:

Henry LC: 7.56E-007 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1012 hours (42.15 days)

Half-Life from Model Lake : 1.115E+004 hours (464.4 days)

Removal In Wastewater Treatment:

Total removal: 4.64 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 4.48 percent

Total to Air: 0.04 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.04 13 1000

Water 24.4 360 1000

Soil 74 720 1000

Sediment 0.528 3.24e+003 0

Persistence Time: 479 hr

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