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CAS Num: 001073-11-6


CHEM : 2(3H)-Furanone, 5-ethenyldihydro-5-methyl-

MOL FOR: C7 H10 O2

MOL WT : 126.16

------------------------------ 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) = 0.92

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

Boiling Pt (deg C): 219.04 (Adapted Stein & Brown method)

Melting Pt (deg C): -3.93 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.138 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 18.4 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 1.559e+004

log Kow used: 0.92 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3327.4 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


Vinyl/Allyl Esters

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

Bond Method : 1.79E-004 atm-m3/mole (1.81E+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: 1.469E-006 atm-m3/mole (1.489E-001 Pa-m3/mole)

VP: 0.138 mm Hg (source: MPBPVP)

WS: 1.56E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.92 (KowWin est)

Log Kaw used: -2.136 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.056

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.6777

Biowin2 (Non-Linear Model) : 0.9727

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8485 (weeks )

Biowin4 (Primary Survey Model) : 3.7412 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8066

Biowin6 (MITI Non-Linear Model): 0.9094

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.1335

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): 17.1 Pa (0.128 mm Hg)

Log Koa (Koawin est ): 3.056

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

Mackay model : 1.76E-007

Octanol/air (Koa) model: 2.79E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.35E-006

Mackay model : 1.41E-005

Octanol/air (Koa) model: 2.23E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 27.5996 E-12 cm3/molecule-sec

Half-Life = 0.388 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.651 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec

Half-Life = 6.549 Days (at 7E11 mol/cm3)

Fraction sorbed to airborne particulates (phi):

1.02E-005 (Junge-Pankow, Mackay avg)

2.23E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 29.67 L/kg (MCI method)

Log Koc: 1.472 (MCI method)

Koc : 23.36 L/kg (Kow method)

Log Koc: 1.368 (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 = 0.500 (BCF = 3.162 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.9027 days (HL = 0.01251 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.070 (BCF = 1.174)

Log BAF Arnot-Gobas method (upper trophic) = 0.070 (BAF = 1.174)

log Kow used: 0.92 (estimated)

Volatilization from Water:

Henry LC: 0.000179 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 4.82 hours

Half-Life from Model Lake : 146.8 hours (6.115 days)

Removal In Wastewater Treatment:

Total removal: 9.79 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.66 percent

Total to Air: 8.04 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.34 8.78 1000

Water 35.1 360 1000

Soil 62.5 720 1000

Sediment 0.108 3.24e+003 0

Persistence Time: 270 hr

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