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CAS Num: 023495-12-7

SMILES : O=C(OCCOc(cccc1)c1)CC

CHEM : Ethanol, 2-phenoxy-, propanoate

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) = 2.60

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

Boiling Pt (deg C): 269.72 (Adapted Stein & Brown method)

Melting Pt (deg C): 37.69 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00737 (Modified Grain method)

VP (Pa, 25 deg C) : 0.983 (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): 283.6

log Kow used: 2.60 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 144.43 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:


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

Bond Method : 1.34E-006 atm-m3/mole (1.35E-001 Pa-m3/mole)

Group Method: 3.08E-006 atm-m3/mole (3.12E-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: 6.641E-006 atm-m3/mole (6.729E-001 Pa-m3/mole)

VP: 0.00737 mm Hg (source: MPBPVP)

WS: 284 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.60 (KowWin est)

Log Kaw used: -4.261 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.861

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0893

Biowin2 (Non-Linear Model) : 0.9998

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8740 (weeks )

Biowin4 (Primary Survey Model) : 3.8785 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.8630

Biowin6 (MITI Non-Linear Model): 0.9306

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9254

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 ): 6.861

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

Mackay model : 2.34E-006

Octanol/air (Koa) model: 1.78E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 8.46E-005

Mackay model : 0.000187

Octanol/air (Koa) model: 0.000143

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 30.8068 E-12 cm3/molecule-sec

Half-Life = 0.347 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 4.166 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000136 (Junge-Pankow, Mackay avg)

0.000143 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 152.1 L/kg (MCI method)

Log Koc: 2.182 (MCI method)

Koc : 225.7 L/kg (Kow method)

Log Koc: 2.354 (Kow method)

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

Total Kb for pH > 8 at 25 deg C : 2.222E-001 L/mol-sec

Kb Half-Life at pH 8: 36.106 days

Kb Half-Life at pH 7: 0.989 years

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

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 1.380 (BCF = 24.01 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.4484 days (HL = 0.03562 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.014 (BCF = 10.34)

Log BAF Arnot-Gobas method (upper trophic) = 1.014 (BAF = 10.34)

log Kow used: 2.60 (estimated)

Volatilization from Water:

Henry LC: 3.08E-006 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 266.3 hours (11.1 days)

Half-Life from Model Lake : 3022 hours (125.9 days)

Removal In Wastewater Treatment:

Total removal: 3.58 percent

Total biodegradation: 0.10 percent

Total sludge adsorption: 3.31 percent

Total to Air: 0.17 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.808 8.33 1000

Water 26.9 360 1000

Soil 72.1 720 1000

Sediment 0.21 3.24e+003 0

Persistence Time: 448 hr

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