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CAS Num: 007493-74-5

SMILES : O=C(OCC=C)COc(cccc1)c1

CHEM : Acetic acid, phenoxy-, 2-propenyl ester

MOL FOR: C11 H12 O3

MOL WT : 192.22

------------------------------ 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) = 2.46

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

Boiling Pt (deg C): 268.49 (Adapted Stein & Brown method)

Melting Pt (deg C): 36.45 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00807 (Modified Grain method)

VP (Pa, 25 deg C) : 1.08 (Modified Grain method)

Subcooled liquid VP: 0.0102 mm Hg (25 deg C, Mod-Grain method)

: 1.36 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 379.6

log Kow used: 2.46 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 147.89 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 : 7.05E-006 atm-m3/mole (7.15E-001 Pa-m3/mole)

Group Method: 4.15E-005 atm-m3/mole (4.21E+000 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: 5.377E-006 atm-m3/mole (5.448E-001 Pa-m3/mole)

VP: 0.00807 mm Hg (source: MPBPVP)

WS: 380 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.46 (KowWin est)

Log Kaw used: -3.540 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.000

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0902

Biowin2 (Non-Linear Model) : 0.9998

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8785 (weeks )

Biowin4 (Primary Survey Model) : 3.8814 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8378

Biowin6 (MITI Non-Linear Model): 0.9081

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.7584

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): 1.36 Pa (0.0102 mm Hg)

Log Koa (Koawin est ): 6.000

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

Mackay model : 2.21E-006

Octanol/air (Koa) model: 2.45E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.97E-005

Mackay model : 0.000176

Octanol/air (Koa) model: 1.96E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 51.0646 E-12 cm3/molecule-sec

Half-Life = 0.209 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.514 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):

0.000128 (Junge-Pankow, Mackay avg)

1.96E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 152.1 L/kg (MCI method)

Log Koc: 2.182 (MCI method)

Koc : 188.9 L/kg (Kow method)

Log Koc: 2.276 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.206E+001 L/mol-sec

Kb Half-Life at pH 8: 15.959 hours

Kb Half-Life at pH 7: 6.649 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.290 (BCF = 19.51 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.4579 days (HL = 0.03484 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.956 (BCF = 9.042)

Log BAF Arnot-Gobas method (upper trophic) = 0.956 (BAF = 9.042)

log Kow used: 2.46 (estimated)

Volatilization from Water:

Henry LC: 7.05E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 116.6 hours (4.856 days)

Half-Life from Model Lake : 1388 hours (57.82 days)

Removal In Wastewater Treatment:

Total removal: 3.37 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.88 percent

Total to Air: 0.39 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.441 4.12 1000

Water 26.9 360 1000

Soil 72.5 720 1000

Sediment 0.209 3.24e+003 0

Persistence Time: 441 hr

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