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CAS Num: 002408-20-0

SMILES : O=C(OCC=C)CC

CHEM : Propanoic acid, 2-propenyl ester

MOL FOR: C6 H10 O2

MOL WT : 114.15

------------------------------ 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) = 1.71

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

Boiling Pt (deg C): 124.07 (Adapted Stein & Brown method)

Melting Pt (deg C): -58.21 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 13.1 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 1.75E+003 (Mean VP of Antoine & Grain methods)

BP (exp database): 124 deg C

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

Water Solubility at 25 deg C (mg/L): 3649

log Kow used: 1.71 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 4401.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

Vinyl/Allyl Esters

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

Bond Method : 3.06E-004 atm-m3/mole (3.10E+001 Pa-m3/mole)

Group Method: 2.28E-004 atm-m3/mole (2.31E+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: 5.392E-004 atm-m3/mole (5.464E+001 Pa-m3/mole)

VP: 13.1 mm Hg (source: MPBPVP)

WS: 3.65E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.71 (KowWin est)

Log Kaw used: -1.903 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 3.613

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8674

Biowin2 (Non-Linear Model) : 0.9958

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0871 (weeks )

Biowin4 (Primary Survey Model) : 3.9120 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8341

Biowin6 (MITI Non-Linear Model): 0.9334

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7598

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): 1.63E+003 Pa (12.2 mm Hg)

Log Koa (Koawin est ): 3.613

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

Mackay model : 1.84E-009

Octanol/air (Koa) model: 1.01E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 6.66E-008

Mackay model : 1.48E-007

Octanol/air (Koa) model: 8.06E-008

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 28.2512 E-12 cm3/molecule-sec

Half-Life = 0.379 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.543 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec

Half-Life = 0.955 Days (at 7E11 mol/cm3)

Half-Life = 22.920 Hrs

Fraction sorbed to airborne particulates (phi):

1.07E-007 (Junge-Pankow, Mackay avg)

8.06E-008 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 19.41 L/kg (MCI method)

Log Koc: 1.288 (MCI method)

Koc : 63.88 L/kg (Kow method)

Log Koc: 1.805 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.926E-001 L/mol-sec

Kb Half-Life at pH 8: 27.415 days

Kb Half-Life at pH 7: 274.146 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.795 (BCF = 6.241 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.4747 days (HL = 0.03352 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.540 (BCF = 3.471)

Log BAF Arnot-Gobas method (upper trophic) = 0.540 (BAF = 3.471)

log Kow used: 1.71 (estimated)

Volatilization from Water:

Henry LC: 0.000228 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.834 hours

Half-Life from Model Lake : 131.4 hours (5.475 days)

Removal In Wastewater Treatment:

Total removal: 11.68 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.80 percent

Total to Air: 9.79 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 2.3 6.51 1000

Water 40.2 360 1000

Soil 57.4 720 1000

Sediment 0.106 3.24e+003 0

Persistence Time: 227 hr

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