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CAS Num: 010402-33-2

SMILES : O=C(Oc(c(OC)cc(c1)CC=C)c1)Cc(cccc2)c2

CHEM : Benzeneacetic acid, 2-methoxy-4-(2-propenyl)phenyl ester

MOL FOR: C18 H18 O3

MOL WT : 282.34

------------------------------ 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) = 4.77

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

Boiling Pt (deg C): 377.62 (Adapted Stein & Brown method)

Melting Pt (deg C): 124.60 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 2.94E-006 (Modified Grain method)

VP (Pa, 25 deg C) : 0.000392 (Modified Grain method)

Subcooled liquid VP: 2.89E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00385 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 1.307

log Kow used: 4.77 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 0.24445 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 4.49E-007 atm-m3/mole (4.55E-002 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

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

HLC: 8.357E-007 atm-m3/mole (8.467E-002 Pa-m3/mole)

VP: 2.94E-006 mm Hg (source: MPBPVP)

WS: 1.31 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.77 (KowWin est)

Log Kaw used: -4.736 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.506

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1567

Biowin2 (Non-Linear Model) : 0.9997

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.5296 (weeks-months)

Biowin4 (Primary Survey Model) : 3.6143 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3845

Biowin6 (MITI Non-Linear Model): 0.2613

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.0970

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.00385 Pa (2.89E-005 mm Hg)

Log Koa (Koawin est ): 9.506

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

Mackay model : 0.000779

Octanol/air (Koa) model: 0.000787

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0274

Mackay model : 0.0586

Octanol/air (Koa) model: 0.0592

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 70.8355 E-12 cm3/molecule-sec

Half-Life = 0.151 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 1.812 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):

0.043 (Junge-Pankow, Mackay avg)

0.0592 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8984 L/kg (MCI method)

Log Koc: 3.953 (MCI method)

Koc : 3580 L/kg (Kow method)

Log Koc: 3.554 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 3.276E+000 L/mol-sec

Kb Half-Life at pH 8: 2.449 days

Kb Half-Life at pH 7: 24.490 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 2.815 (BCF = 653.6 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7274 days (HL = 0.1873 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.896 (BCF = 78.76)

Log BAF Arnot-Gobas method (upper trophic) = 1.896 (BAF = 78.77)

log Kow used: 4.77 (estimated)

Volatilization from Water:

Henry LC: 4.49E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2193 hours (91.37 days)

Half-Life from Model Lake : 2.406E+004 hours (1003 days)

Removal In Wastewater Treatment:

Total removal: 69.11 percent

Total biodegradation: 0.62 percent

Total sludge adsorption: 68.48 percent

Total to Air: 0.01 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.12 3.13 1000

Water 15.8 900 1000

Soil 75.9 1.8e+003 1000

Sediment 8.2 8.1e+003 0

Persistence Time: 1.16e+003 hr

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