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CAS Num: 000122-99-6

SMILES : O(c(cccc1)c1)CCO

CHEM : Ethanol, 2-phenoxy-

MOL FOR: C8 H10 O2

MOL WT : 138.17

------------------------------ 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) = 1.10

Log Kow (Exper. database match) = 1.16

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

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

Boiling Pt (deg C): 243.84 (Adapted Stein & Brown method)

Melting Pt (deg C): 22.47 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00449 (Mean VP of Antoine & Grain methods)

VP (Pa, 25 deg C) : 0.598 (Mean VP of Antoine & Grain methods)

MP (exp database): 14 deg C

BP (exp database): 245 deg C

VP (exp database): 7.00E-03 mm Hg (9.33E-001 Pa) at 25 deg C

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

Water Solubility at 25 deg C (mg/L): 2.818e+004

log Kow used: 1.16 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 2.67e+004 mg/L (20 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 18918 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 1.55E-008 atm-m3/mole (1.57E-003 Pa-m3/mole)

Group Method: 6.74E-008 atm-m3/mole (6.83E-003 Pa-m3/mole)

Exper Database: 4.72E-08 atm-m3/mole (4.78E-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: 2.897E-008 atm-m3/mole (2.935E-003 Pa-m3/mole)

VP: 0.00449 mm Hg (source: MPBPVP)

WS: 2.82E+004 mg/L (source: WSKOWWIN)

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

Log Kow used: 1.16 (exp database)

Log Kaw used: -5.715 (exp database)

Log Koa (KOAWIN v1.10 estimate): 6.875

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1005

Biowin2 (Non-Linear Model) : 0.9980

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 3.0177 (weeks )

Biowin4 (Primary Survey Model) : 3.8599 (days )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.7974

Biowin6 (MITI Non-Linear Model): 0.9108

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.9399

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): 0.933 Pa (0.007 mm Hg)

Log Koa (Koawin est ): 6.875

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

Mackay model : 3.21E-006

Octanol/air (Koa) model: 1.84E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000116

Mackay model : 0.000257

Octanol/air (Koa) model: 0.000147

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 32.6727 E-12 cm3/molecule-sec

Half-Life = 0.327 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 3.928 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000187 (Junge-Pankow, Mackay avg)

0.000147 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 14.92 L/kg (MCI method)

Log Koc: 1.174 (MCI method)

Koc : 16.26 L/kg (Kow method)

Log Koc: 1.211 (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 = 0.177 (BCF = 1.502 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.3165 days (HL = 0.04825 days)

Log BCF Arnot-Gobas method (upper trophic) = 0.270 (BCF = 1.864)

Log BAF Arnot-Gobas method (upper trophic) = 0.270 (BAF = 1.864)

log Kow used: 1.16 (expkow database)

Volatilization from Water:

Henry LC: 4.72E-008 atm-m3/mole (Henry experimental database)

Half-Life from Model River: 1.458E+004 hours (607.6 days)

Half-Life from Model Lake : 1.592E+005 hours (6632 days)

Removal In Wastewater Treatment:

Total removal: 1.91 percent

Total biodegradation: 0.09 percent

Total sludge adsorption: 1.81 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 0.467 7.86 1000

Water 33 360 1000

Soil 66.4 720 1000

Sediment 0.0812 3.24e+003 0

Persistence Time: 484 hr

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