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CAS Num: 027538-09-6


CHEM : 3(2H)-Furanone, 5-ethyl-4-hydroxy-2-methyl-

MOL FOR: C7 H10 O3

MOL WT : 142.16

------------------------------ 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) = 1.31

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

Boiling Pt (deg C): 275.21 (Adapted Stein & Brown method)

Melting Pt (deg C): 60.62 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000304 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0406 (Modified Grain method)

Subcooled liquid VP: 0.000653 mm Hg (25 deg C, Mod-Grain method)

: 0.0871 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 6178

log Kow used: 1.31 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 58.495 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Vinyl/Allyl Ketones

Vinyl/Allyl Ethers

Vinyl/Allyl Alcohols

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

Bond Method : 1.95E-005 atm-m3/mole (1.98E+000 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: 9.204E-009 atm-m3/mole (9.326E-004 Pa-m3/mole)

VP: 0.000304 mm Hg (source: MPBPVP)

WS: 6.18E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.31 (KowWin est)

Log Kaw used: -3.098 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.408

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.4981

Biowin2 (Non-Linear Model) : 0.1450

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0138 (weeks )

Biowin4 (Primary Survey Model) : 3.7401 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.6323

Biowin6 (MITI Non-Linear Model): 0.6204

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2260

Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

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

Vapor pressure (liquid/subcooled): 0.0871 Pa (0.000653 mm Hg)

Log Koa (Koawin est ): 4.408

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

Mackay model : 3.45E-005

Octanol/air (Koa) model: 6.28E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00124

Mackay model : 0.00275

Octanol/air (Koa) model: 5.02E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 136.1520 E-12 cm3/molecule-sec

Half-Life = 0.079 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 0.943 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 5.687500 E-17 cm3/molecule-sec

Half-Life = 0.201 Days (at 7E11 mol/cm3)

Half-Life = 4.836 Hrs

Fraction sorbed to airborne particulates (phi):

0.002 (Junge-Pankow, Mackay avg)

5.02E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 10 L/kg (MCI method)

Log Koc: 1.000 (MCI method)

Koc : 22.04 L/kg (Kow method)

Log Koc: 1.343 (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 = 0.535 (BCF = 3.425 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2353 days (HL = 0.05817 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.371 (BCF = 2.348)

Log BAF Arnot-Gobas method (upper trophic) = 0.371 (BAF = 2.348)

log Kow used: 1.31 (estimated)

Volatilization from Water:

Henry LC: 1.95E-005 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 37.02 hours (1.542 days)

Half-Life from Model Lake : 503.8 hours (20.99 days)

Removal In Wastewater Treatment:

Total removal: 2.98 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.82 percent

Total to Air: 1.07 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.23 1.36 1000

Water 40.5 360 1000

Soil 59.2 720 1000

Sediment 0.0912 3.24e+003 0

Persistence Time: 339 hr

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