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CAS Num: 004265-25-2

SMILES : Cc2cc1ccccc1o2

CHEM : 2-Methylbenzofuran

MOL FOR: C9 H8 O1

MOL WT : 132.16

------------------------------ 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) = 3.09

Log Kow (Exper. database match) = 3.22

Exper. Ref: SANGSTER (1993)

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

Boiling Pt (deg C): 217.82 (Adapted Stein & Brown method)

Melting Pt (deg C): 16.26 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.409 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 54.5 (Mean VP of Antoine & Grain methods)

BP (exp database): 197.5 deg C

VP (exp database): 4.87E-01 mm Hg (6.49E+001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 160.4

log Kow used: 3.22 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 130.81 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.79E-004 atm-m3/mole (5.87E+001 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: 4.434E-004 atm-m3/mole (4.493E+001 Pa-m3/mole)

VP: 0.409 mm Hg (source: MPBPVP)

WS: 160 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.22 (exp database)

Log Kaw used: -1.626 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.846

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7393

Biowin2 (Non-Linear Model) : 0.8467

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8323 (weeks )

Biowin4 (Primary Survey Model) : 3.5885 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4015

Biowin6 (MITI Non-Linear Model): 0.4057

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.0128

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): 64.9 Pa (0.487 mm Hg)

Log Koa (Koawin est ): 4.846

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

Mackay model : 4.62E-008

Octanol/air (Koa) model: 1.72E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.67E-006

Mackay model : 3.7E-006

Octanol/air (Koa) model: 1.38E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 97.5113 E-12 cm3/molecule-sec

Half-Life = 0.110 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.316 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.68E-006 (Junge-Pankow, Mackay avg)

1.38E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1360 L/kg (MCI method)

Log Koc: 3.133 (MCI method)

Koc : 622.6 L/kg (Kow method)

Log Koc: 2.794 (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 = 1.792 (BCF = 61.88 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.3985 days (HL = 0.3995 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.930 (BCF = 85.15)

Log BAF Arnot-Gobas method (upper trophic) = 1.930 (BAF = 85.15)

log Kow used: 3.22 (expkow database)

Volatilization from Water:

Henry LC: 0.000579 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2.336 hours

Half-Life from Model Lake : 121.9 hours (5.078 days)

Removal In Wastewater Treatment:

Total removal: 26.03 percent

Total biodegradation: 0.12 percent

Total sludge adsorption: 7.11 percent

Total to Air: 18.80 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.445 2.63 1000

Water 18.1 360 1000

Soil 80.6 720 1000

Sediment 0.837 3.24e+003 0

Persistence Time: 396 hr

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