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CAS Num: 000141-78-6

SMILES : O=C(OCC)C

CHEM : Acetic acid ethyl ester

MOL FOR: C4 H8 O2

MOL WT : 88.11

------------------------------ 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) = 0.86

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): 77.91 (Adapted Stein & Brown method)

Melting Pt (deg C): -82.08 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 98.3 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.31E+004 (Mean VP of Antoine & Grain methods)

MP (exp database): -83.6 deg C

BP (exp database): 77.1 deg C

VP (exp database): 9.32E+01 mm Hg (1.24E+004 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 2.993e+004

log Kow used: 0.73 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 8e+004 mg/L (25 deg C)

Exper. Ref: BANERJEE,S (1984)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 38942 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 2.33E-004 atm-m3/mole (2.36E+001 Pa-m3/mole)

Group Method: 1.58E-004 atm-m3/mole (1.60E+001 Pa-m3/mole)

Exper Database: 1.34E-04 atm-m3/mole (1.36E+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: 3.808E-004 atm-m3/mole (3.858E+001 Pa-m3/mole)

VP: 98.3 mm Hg (source: MPBPVP)

WS: 2.99E+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: -2.261 (exp database)

Log Koa (KOAWIN v1.10 estimate): 2.991

Log Koa (experimental database): 2.700

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8798

Biowin2 (Non-Linear Model) : 0.9971

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.1447 (weeks )

Biowin4 (Primary Survey Model) : 3.9496 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8440

Biowin6 (MITI Non-Linear Model): 0.9477

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8748

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): 1.24E+004 Pa (93.2 mm Hg)

Log Koa (Exp database): 2.700

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

Mackay model : 2.41E-010

Octanol/air (Koa) model: 1.23E-010

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.72E-009

Mackay model : 1.93E-008

Octanol/air (Koa) model: 9.84E-009

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 1.7038 E-12 cm3/molecule-sec

Half-Life = 6.278 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 75.331 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

1.4E-008 (Junge-Pankow, Mackay avg)

9.84E-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 : 1.208E-001 L/mol-sec

Kb Half-Life at pH 8: 66.387 days

Kb Half-Life at pH 7: 1.818 years

(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) = -1.7848 days (HL = 0.01641 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.047 (BCF = 1.114)

Log BAF Arnot-Gobas method (upper trophic) = 0.047 (BAF = 1.114)

log Kow used: 0.73 (expkow database)

Volatilization from Water:

Henry LC: 0.000134 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 5.059 hours

Half-Life from Model Lake : 133.9 hours (5.579 days)

Removal In Wastewater Treatment:

Total removal: 8.07 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.68 percent

Total to Air: 6.30 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 15.2 160 1000

Water 41.1 360 1000

Soil 43.7 720 1000

Sediment 0.0848 3.24e+003 0

Persistence Time: 264 hr

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