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CAS Num: 007493-71-2

SMILES : O=C(OCC=C)C(=CC)C

CHEM : 2-BUTENOIC ACID, 2-METHYL-, 2-PROPENYL ESTER, (E)-

MOL FOR: C8 H12 O2

MOL WT : 140.18

------------------------------ 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) = 2.53

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

Boiling Pt (deg C): 169.21 (Adapted Stein & Brown method)

Melting Pt (deg C): -43.28 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.62 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 216 (Mean VP of Antoine & Grain methods)

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

Water Solubility at 25 deg C (mg/L): 573.6

log Kow used: 2.53 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1657.4 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Methacrylates

Vinyl/Allyl Esters

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

Bond Method : 2.98E-004 atm-m3/mole (3.02E+001 Pa-m3/mole)

Group Method: 3.97E-004 atm-m3/mole (4.02E+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: 5.209E-004 atm-m3/mole (5.278E+001 Pa-m3/mole)

VP: 1.62 mm Hg (source: MPBPVP)

WS: 574 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.53 (KowWin est)

Log Kaw used: -1.914 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 4.444

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8550

Biowin2 (Non-Linear Model) : 0.9939

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0296 (weeks )

Biowin4 (Primary Survey Model) : 3.8744 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7138

Biowin6 (MITI Non-Linear Model): 0.8187

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.5807

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): 196 Pa (1.47 mm Hg)

Log Koa (Koawin est ): 4.444

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

Mackay model : 1.53E-008

Octanol/air (Koa) model: 6.82E-009

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 5.53E-007

Mackay model : 1.22E-006

Octanol/air (Koa) model: 5.46E-007

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 58.4814 E-12 cm3/molecule-sec

Half-Life = 0.183 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.195 Hrs

Ozone Reaction:

OVERALL Ozone Rate Constant = 8.593750 E-17 cm3/molecule-sec

Half-Life = 0.133 Days (at 7E11 mol/cm3)

Half-Life = 3.200 Hrs

Fraction sorbed to airborne particulates (phi):

8.89E-007 (Junge-Pankow, Mackay avg)

5.46E-007 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 57.91 L/kg (MCI method)

Log Koc: 1.763 (MCI method)

Koc : 181.5 L/kg (Kow method)

Log Koc: 2.259 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 5.607E-003 L/mol-sec

Kb Half-Life at pH 8: 3.917 years

Kb Half-Life at pH 7: 39.173 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.339 (BCF = 21.8 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9687 days (HL = 0.1075 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.277 (BCF = 18.91)

Log BAF Arnot-Gobas method (upper trophic) = 1.277 (BAF = 18.91)

log Kow used: 2.53 (estimated)

Volatilization from Water:

Henry LC: 0.000397 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.954 hours

Half-Life from Model Lake : 131.5 hours (5.479 days)

Removal In Wastewater Treatment:

Total removal: 17.83 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 2.77 percent

Total to Air: 14.97 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.662 1.85 1000

Water 33.1 360 1000

Soil 66.1 720 1000

Sediment 0.139 3.24e+003 0

Persistence Time: 241 hr

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