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CAS Number: 6192-44-5

SMILES : O=C(OCCOc1ccccc1)C

CHEM : Ethanol, 2-phenoxy-, acetate

MOL FOR: C10 H12 O3

MOL WT : 180.21

------------------------------ EPI SUMMARY (v4.10) --------------------------

Physical Property Inputs:

Log Kow (octanol-water): ------

Boiling Point (deg C) : ------

Melting Point (deg C) : ------

Vapor Pressure (mm Hg) : ------

Water Solubility (mg/L): ------

Henry LC (atm-m3/mole) : ------

Log Octanol-Water Partition Coef (SRC):

Log Kow (KOWWIN v1.68 estimate) = 2.11

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

Boiling Pt (deg C): 252.82 (Adapted Stein & Brown method)

Melting Pt (deg C): 27.12 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.022 (Modified Grain method)

VP (Pa, 25 deg C) : 2.94 (Modified Grain method)

Subcooled liquid VP: 0.023 mm Hg (25 deg C, Mod-Grain method)

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

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 874.4

log Kow used: 2.11 (estimated)

no-melting pt equation used

Water Sol (Exper. database match) = 1900 mg/L (35 deg C)

Exper. Ref: BEILSTEIN

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 461.45 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Esters

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

Bond Method : 1.01E-006 atm-m3/mole (1.02E-001 Pa-m3/mole)

Group Method: 2.18E-006 atm-m3/mole (2.21E-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: 5.966E-006 atm-m3/mole (6.045E-001 Pa-m3/mole)

VP: 0.022 mm Hg (source: MPBPVP)

WS: 874 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.11 (KowWin est)

Log Kaw used: -4.384 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.494

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0959

Biowin2 (Non-Linear Model) : 0.9998

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9050 (weeks )

Biowin4 (Primary Survey Model) : 3.8987 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8553

Biowin6 (MITI Non-Linear Model): 0.9290

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.8994

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): 3.07 Pa (0.023 mm Hg)

Log Koa (Koawin est ): 6.494

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

Mackay model : 9.78E-007

Octanol/air (Koa) model: 7.66E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 3.53E-005

Mackay model : 7.83E-005

Octanol/air (Koa) model: 6.12E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.3921 E-12 cm3/molecule-sec

Half-Life = 0.352 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.223 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

5.68E-005 (Junge-Pankow, Mackay avg)

6.12E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 79.71 L/kg (MCI method)

Log Koc: 1.902 (MCI method)

Koc : 120.9 L/kg (Kow method)

Log Koc: 2.083 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.632E-001 L/mol-sec

Kb Half-Life at pH 8: 30.478 days

Kb Half-Life at pH 7: 304.777 days

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

Bioaccumulation Estimates (BCFBAF v3.01):

Log BCF from regression-based method = 1.056 (BCF = 11.38 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.5875 days (HL = 0.02585 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.712 (BCF = 5.156)

Log BAF Arnot-Gobas method (upper trophic) = 0.712 (BAF = 5.156)

log Kow used: 2.11 (estimated)

Volatilization from Water:

Henry LC: 2.18E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 361.9 hours (15.08 days)

Half-Life from Model Lake : 4061 hours (169.2 days)

Removal In Wastewater Treatment:

Total removal: 2.48 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 2.26 percent

Total to Air: 0.12 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.841 8.45 1000

Water 28.8 360 1000

Soil 70.2 720 1000

Sediment 0.146 3.24e+003 0

Persistence Time: 436 hr

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