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CAS Num: 000108-05-4


CHEM : Acetic acid ethenyl ester


MOL WT : 86.09

------------------------------ 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) = 0.73

Log Kow (Exper. database match) = 0.73

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 76.05 (Adapted Stein & Brown method)

Melting Pt (deg C): -83.50 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 119 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.58E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -93.2 deg C

BP (exp database): 72.5 deg C

VP (exp database): 9.02E+01 mm Hg (1.20E+004 Pa) at 20 deg C

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

Water Solubility at 25 deg C (mg/L): 3.025e+004

log Kow used: 0.73 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 2e+004 mg/L (20 deg C)

Exper. Ref: RIDDICK,JA ET AL. (1986)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 39371 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 : 1.17E-003 atm-m3/mole (1.18E+002 Pa-m3/mole)

Group Method: 3.01E-004 atm-m3/mole (3.05E+001 Pa-m3/mole)

Exper Database: 5.11E-04 atm-m3/mole (5.18E+001 Pa-m3/mole)

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 4.456E-004 atm-m3/mole (4.515E+001 Pa-m3/mole)

VP: 119 mm Hg (source: MPBPVP)

WS: 3.03E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 0.73 (exp database)

Log Kaw used: -1.680 (exp database)

Log Koa (KOAWIN v1.10 estimate): 2.410

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8807

Biowin2 (Non-Linear Model) : 0.9972

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1491 (weeks )

Biowin4 (Primary Survey Model) : 3.9525 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8187

Biowin6 (MITI Non-Linear Model): 0.9303

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7078

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): 1.2E+004 Pa (90.2 mm Hg)

Log Koa (Koawin est ): 2.410

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

Mackay model : 2.49E-010

Octanol/air (Koa) model: 6.31E-011

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 9.01E-009

Mackay model : 2E-008

Octanol/air (Koa) model: 5.05E-009

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 26.3422 E-12 cm3/molecule-sec

Half-Life = 0.406 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.872 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):

1.45E-008 (Junge-Pankow, Mackay avg)

5.05E-009 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 5.583 L/kg (MCI method)

Log Koc: 0.747 (MCI method)

Koc : 18.34 L/kg (Kow method)

Log Koc: 1.263 (Kow method)

Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:

Total Kb for pH > 8 at 25 deg C : 5.666E-001 L/mol-sec

Kb Half-Life at pH 8: 14.157 days

Kb Half-Life at pH 7: 141.574 days

(Total Kb applies only to esters, carbmates, alkyl halides)

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) = -1.7524 days (HL = 0.01769 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.051 (BCF = 1.124)

Log BAF Arnot-Gobas method (upper trophic) = 0.051 (BAF = 1.124)

log Kow used: 0.73 (expkow database)

Volatilization from Water:

Henry LC: 0.000511 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 2.01 hours

Half-Life from Model Lake : 99.73 hours (4.155 days)

Removal In Wastewater Treatment:

Total removal: 19.94 percent

Total biodegradation: 0.08 percent

Total sludge adsorption: 1.49 percent

Total to Air: 18.36 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 6.02 9.17 1000

Water 56.5 360 1000

Soil 37.3 720 1000

Sediment 0.117 3.24e+003 0

Persistence Time: 140 hr

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