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CAS Num: 015149-10-7

SMILES : O(c(ccc(c1)C)c1)CCO

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

MOL FOR: C9 H12 O2

MOL WT : 152.19

------------------------------ 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) = 1.65

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

Boiling Pt (deg C): 261.19 (Adapted Stein & Brown method)

Melting Pt (deg C): 39.43 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00117 (Modified Grain method)

VP (Pa, 25 deg C) : 0.156 (Modified Grain method)

Subcooled liquid VP: 0.00158 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 9407

log Kow used: 1.65 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 6215.8 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.71E-008 atm-m3/mole (1.73E-003 Pa-m3/mole)

Group Method: 7.22E-008 atm-m3/mole (7.31E-003 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: 2.491E-008 atm-m3/mole (2.524E-003 Pa-m3/mole)

VP: 0.00117 mm Hg (source: MPBPVP)

WS: 9.41E+003 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.65 (KowWin est)

Log Kaw used: -6.155 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 7.805

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.0204

Biowin2 (Non-Linear Model) : 0.9918

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8898 (weeks )

Biowin4 (Primary Survey Model) : 3.7662 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7889

Biowin6 (MITI Non-Linear Model): 0.8914

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.4454

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): 0.211 Pa (0.00158 mm Hg)

Log Koa (Koawin est ): 7.805

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

Mackay model : 1.42E-005

Octanol/air (Koa) model: 1.57E-005

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000514

Mackay model : 0.00114

Octanol/air (Koa) model: 0.00125

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 37.6656 E-12 cm3/molecule-sec

Half-Life = 0.284 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.408 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000826 (Junge-Pankow, Mackay avg)

0.00125 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 23.94 L/kg (MCI method)

Log Koc: 1.379 (MCI method)

Koc : 30.36 L/kg (Kow method)

Log Koc: 1.482 (Kow method)

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

Rate constants can NOT be estimated for this structure!

Bioaccumulation Estimates (BCFBAF v3.00):

Log BCF from regression-based method = 0.498 (BCF = 3.151 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.7749 days (HL = 0.1679 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.681 (BCF = 4.803)

Log BAF Arnot-Gobas method (upper trophic) = 0.681 (BAF = 4.803)

log Kow used: 1.65 (estimated)

Volatilization from Water:

Henry LC: 7.22E-008 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.001E+004 hours (416.9 days)

Half-Life from Model Lake : 1.093E+005 hours (4552 days)

Removal In Wastewater Treatment:

Total removal: 2.03 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.93 percent

Total to Air: 0.00 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 0.496 6.82 1000

Water 31.6 360 1000

Soil 67.9 720 1000

Sediment 0.0894 3.24e+003 0

Persistence Time: 469 hr

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