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CAS Number: 67363-95-5

SMILES : CCc1cocc1

CHEM : 3-ethylfuran

MOL FOR: C6 H8 O1

MOL WT : 96.13

------------------------------ 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) = 2.40

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

Boiling Pt (deg C): 108.50 (Adapted Stein & Brown method)

Melting Pt (deg C): -55.17 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 25.9 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 3.46E+003 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1068

log Kow used: 2.40 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1559.6 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 7.88E-003 atm-m3/mole (7.98E+002 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: 3.067E-003 atm-m3/mole (3.108E+002 Pa-m3/mole)

VP: 25.9 mm Hg (source: MPBPVP)

WS: 1.07E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.40 (KowWin est)

Log Kaw used: -0.492 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 2.892

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7565

Biowin2 (Non-Linear Model) : 0.9021

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9119 (weeks )

Biowin4 (Primary Survey Model) : 3.6405 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3955

Biowin6 (MITI Non-Linear Model): 0.5014

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3484

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): 3.25E+003 Pa (24.4 mm Hg)

Log Koa (Koawin est ): 2.892

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

Mackay model : 9.22E-010

Octanol/air (Koa) model: 1.91E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.33E-008

Mackay model : 7.38E-008

Octanol/air (Koa) model: 1.53E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 101.7377 E-12 cm3/molecule-sec

Half-Life = 0.105 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.262 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

5.35E-008 (Junge-Pankow, Mackay avg)

1.53E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 244.8 L/kg (MCI method)

Log Koc: 2.389 (MCI method)

Koc : 120.9 L/kg (Kow method)

Log Koc: 2.083 (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 = 1.251 (BCF = 17.83 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5169 days (HL = 0.3042 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.338 (BCF = 21.77)

Log BAF Arnot-Gobas method (upper trophic) = 1.338 (BAF = 21.77)

log Kow used: 2.40 (estimated)

Volatilization from Water:

Henry LC: 0.00788 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 1.073 hours

Half-Life from Model Lake : 93.92 hours (3.913 days)

Removal In Wastewater Treatment:

Total removal: 75.79 percent

Total biodegradation: 0.04 percent

Total sludge adsorption: 1.31 percent

Total to Air: 74.45 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.23 2.52 1000

Water 52.2 360 1000

Soil 45 720 1000

Sediment 0.58 3.24e+003 0

Persistence Time: 120 hr

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