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CAS Num: 004112-89-4

SMILES : O=C(Oc(c(OC)ccc1)c1)Cc(cccc2)c2

CHEM : Benzeneacetic acid, 2-methoxyphenyl ester

MOL FOR: C15 H14 O3

MOL WT : 242.28

------------------------------ 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) = 3.38

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

Boiling Pt (deg C): 343.61 (Adapted Stein & Brown method)

Melting Pt (deg C): 101.27 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 3.38E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0045 (Modified Grain method)

Subcooled liquid VP: 0.000187 mm Hg (25 deg C, Mod-Grain method)

: 0.0249 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 33.99

log Kow used: 3.38 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 8.0598 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 3.10E-007 atm-m3/mole (3.14E-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: 3.170E-007 atm-m3/mole (3.212E-002 Pa-m3/mole)

VP: 3.38E-005 mm Hg (source: MPBPVP)

WS: 34 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.38 (KowWin est)

Log Kaw used: -4.897 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 8.277

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1211

Biowin2 (Non-Linear Model) : 0.9997

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6930 (weeks-months)

Biowin4 (Primary Survey Model) : 3.7406 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.5490

Biowin6 (MITI Non-Linear Model): 0.5687

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3439

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): 0.0249 Pa (0.000187 mm Hg)

Log Koa (Koawin est ): 8.277

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

Mackay model : 0.00012

Octanol/air (Koa) model: 4.65E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00433

Mackay model : 0.00953

Octanol/air (Koa) model: 0.0037

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 20.1483 E-12 cm3/molecule-sec

Half-Life = 0.531 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.370 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00693 (Junge-Pankow, Mackay avg)

0.0037 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1611 L/kg (MCI method)

Log Koc: 3.207 (MCI method)

Koc : 609.5 L/kg (Kow method)

Log Koc: 2.785 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.189E+000 L/mol-sec

Kb Half-Life at pH 8: 3.664 days

Kb Half-Life at pH 7: 36.642 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.896 (BCF = 78.73 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.9245 days (HL = 0.119 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.622 (BCF = 41.86)

Log BAF Arnot-Gobas method (upper trophic) = 1.622 (BAF = 41.86)

log Kow used: 3.38 (estimated)

Volatilization from Water:

Henry LC: 3.1E-007 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 2941 hours (122.6 days)

Half-Life from Model Lake : 3.222E+004 hours (1342 days)

Removal In Wastewater Treatment:

Total removal: 10.59 percent

Total biodegradation: 0.16 percent

Total sludge adsorption: 10.41 percent

Total to Air: 0.02 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.395 12.7 1000

Water 16.8 900 1000

Soil 81.3 1.8e+003 1000

Sediment 1.52 8.1e+003 0

Persistence Time: 1.16e+003 hr

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