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CAS Num: 006807-11-0

SMILES : O=C(OCCOc(ccc(c1)C)c1)C

CHEM : Ethanol, 2-(4-methylphenoxy)-, acetate

MOL FOR: C11 H14 O3

MOL WT : 194.23

------------------------------ 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) = 2.65

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

Boiling Pt (deg C): 269.71 (Adapted Stein & Brown method)

Melting Pt (deg C): 43.95 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00645 (Modified Grain method)

VP (Pa, 25 deg C) : 0.86 (Modified Grain method)

Subcooled liquid VP: 0.0096 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 253.9

log Kow used: 2.65 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 148.36 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.11E-006 atm-m3/mole (1.13E-001 Pa-m3/mole)

Group Method: 2.34E-006 atm-m3/mole (2.37E-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: 6.492E-006 atm-m3/mole (6.578E-001 Pa-m3/mole)

VP: 0.00645 mm Hg (source: MPBPVP)

WS: 254 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.65 (KowWin est)

Log Kaw used: -4.343 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.993

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0158

Biowin2 (Non-Linear Model) : 0.9992

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7772 (weeks )

Biowin4 (Primary Survey Model) : 3.8051 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8468

Biowin6 (MITI Non-Linear Model): 0.9132

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4049

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): 1.28 Pa (0.0096 mm Hg)

Log Koa (Koawin est ): 6.993

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

Mackay model : 2.34E-006

Octanol/air (Koa) model: 2.42E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.46E-005

Mackay model : 0.000187

Octanol/air (Koa) model: 0.000193

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 35.3850 E-12 cm3/molecule-sec

Half-Life = 0.302 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.627 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000136 (Junge-Pankow, Mackay avg)

0.000193 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 127.9 L/kg (MCI method)

Log Koc: 2.107 (MCI method)

Koc : 240.6 L/kg (Kow method)

Log Koc: 2.381 (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 v3.00):

Log BCF from regression-based method = 1.417 (BCF = 26.14 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.0276 days (HL = 0.09385 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.310 (BCF = 20.4)

Log BAF Arnot-Gobas method (upper trophic) = 1.310 (BAF = 20.4)

log Kow used: 2.65 (estimated)

Volatilization from Water:

Henry LC: 2.34E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 350.1 hours (14.59 days)

Half-Life from Model Lake : 3936 hours (164 days)

Removal In Wastewater Treatment:

Total removal: 3.73 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 3.49 percent

Total to Air: 0.13 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.716 7.26 1000

Water 27.3 360 1000

Soil 71.8 720 1000

Sediment 0.189 3.24e+003 0

Persistence Time: 445 hr

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