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CAS Num: 000613-70-7

SMILES : COc1ccccc1OC(=O)C

CHEM : Phenol, 2-methoxy-, acetate

MOL FOR: C9 H10 O3

MOL WT : 166.18

------------------------------ 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) = 1.67

Log Kow (Exper. database match) = 1.38

Exper. Ref: HANSCH,C ET AL. (1995)

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

Boiling Pt (deg C): 235.01 (Adapted Stein & Brown method)

Melting Pt (deg C): 22.55 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.05 (Modified Grain method)

VP (Pa, 25 deg C) : 6.67 (Modified Grain method)

MP (exp database): 31.5 deg C

BP (exp database): 123-124 @ 13 mm Hg deg C

Subcooled liquid VP: 0.0572 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 4249

log Kow used: 1.38 (expkow database)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1505.2 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 3.83E-006 atm-m3/mole (3.89E-001 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: 2.573E-006 atm-m3/mole (2.607E-001 Pa-m3/mole)

VP: 0.05 mm Hg (source: MPBPVP)

WS: 4.25E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.38 (exp database)

Log Kaw used: -3.805 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 5.185

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9745

Biowin2 (Non-Linear Model) : 0.9991

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9140 (weeks )

Biowin4 (Primary Survey Model) : 3.9141 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7904

Biowin6 (MITI Non-Linear Model): 0.8825

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.6451

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): 7.63 Pa (0.0572 mm Hg)

Log Koa (Koawin est ): 5.185

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

Mackay model : 3.93E-007

Octanol/air (Koa) model: 3.76E-008

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 1.42E-005

Mackay model : 3.15E-005

Octanol/air (Koa) model: 3.01E-006

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 16.6668 E-12 cm3/molecule-sec

Half-Life = 0.642 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 7.701 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

2.28E-005 (Junge-Pankow, Mackay avg)

3.01E-006 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 41.13 L/kg (MCI method)

Log Koc: 1.614 (MCI method)

Koc : 47.72 L/kg (Kow method)

Log Koc: 1.679 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 1.306E+000 L/mol-sec

Kb Half-Life at pH 8: 6.143 days

Kb Half-Life at pH 7: 61.430 days

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.578 (BCF = 3.78 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.2410 days (HL = 0.05741 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.408 (BCF = 2.559)

Log BAF Arnot-Gobas method (upper trophic) = 0.408 (BAF = 2.559)

log Kow used: 1.38 (expkow database)

Volatilization from Water:

Henry LC: 3.83E-006 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 198.4 hours (8.266 days)

Half-Life from Model Lake : 2272 hours (94.68 days)

Removal In Wastewater Treatment:

Total removal: 2.16 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.85 percent

Total to Air: 0.22 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.5 15.4 1000

Water 31.5 360 1000

Soil 66.8 720 1000

Sediment 0.112 3.24e+003 0

Persistence Time: 418 hr

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