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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