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CAS Number: 939-27-5

SMILES : CCc1cc2ccccc2cc1

CHEM : 2-Ethylnaphthalene

MOL FOR: C12 H12

MOL WT : 156.23

------------------------------ 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) = 4.21

Log Kow (Exper. database match) = 4.38

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 266.67 (Adapted Stein & Brown method)

Melting Pt (deg C): 32.76 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.0177 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 2.36 (Mean VP of Antoine & Grain methods)

MP (exp database): -7.4 deg C

BP (exp database): 258 deg C

VP (exp database): 3.16E-02 mm Hg (4.21E+000 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 12.94

log Kow used: 4.38 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 8.01 mg/L (25 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4.1094 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.71E-004 atm-m3/mole (7.81E+001 Pa-m3/mole)

Group Method: 6.14E-004 atm-m3/mole (6.23E+001 Pa-m3/mole)

Exper Database: 5.38E-04 atm-m3/mole (5.45E+001 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: 2.812E-004 atm-m3/mole (2.849E+001 Pa-m3/mole)

VP: 0.0177 mm Hg (source: MPBPVP)

WS: 12.9 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.38 (exp database)

Log Kaw used: -1.658 (exp database)

Log Koa (KOAWIN v1.10 estimate): 6.038

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7278

Biowin2 (Non-Linear Model) : 0.7970

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7791 (weeks )

Biowin4 (Primary Survey Model) : 3.5538 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.2496

Biowin6 (MITI Non-Linear Model): 0.2229

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0333

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 0.7837

BioHC Half-Life (days) : 6.0765

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 4.21 Pa (0.0316 mm Hg)

Log Koa (Koawin est ): 6.038

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

Mackay model : 7.12E-007

Octanol/air (Koa) model: 2.68E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 2.57E-005

Mackay model : 5.7E-005

Octanol/air (Koa) model: 2.14E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 54.7740 E-12 cm3/molecule-sec

Half-Life = 0.195 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.343 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

4.13E-005 (Junge-Pankow, Mackay avg)

2.14E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 4726 L/kg (MCI method)

Log Koc: 3.675 (MCI method)

Koc : 6324 L/kg (Kow method)

Log Koc: 3.801 (Kow method)

Experimental Log Koc: 3.76 (database)

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 = 2.557 (BCF = 360.5 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6360 days (HL = 4.326 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.015 (BCF = 1034)

Log BAF Arnot-Gobas method (upper trophic) = 3.024 (BAF = 1056)

log Kow used: 4.38 (expkow database)

Volatilization from Water:

Henry LC: 0.000538 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2.636 hours

Half-Life from Model Lake : 133.6 hours (5.565 days)

Removal In Wastewater Treatment:

Total removal: 56.42 percent

Total biodegradation: 0.42 percent

Total sludge adsorption: 46.33 percent

Total to Air: 9.67 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.69 4.69 1000

Water 16.9 360 1000

Soil 79.9 720 1000

Sediment 2.46 3.24e+003 0

Persistence Time: 424 hr

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