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CAS Number: 614-29-9

SMILES : OC(c(cccc1)c1)Cc(cccc2)c2

CHEM : Benzeneethanol, .alpha.-phenyl-

MOL FOR: C14 H14 O1

MOL WT : 198.27

------------------------------ EPI SUMMARY (v4.00) --------------------------

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 v1.67 estimate) = 3.20

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

Boiling Pt (deg C): 325.37 (Adapted Stein & Brown method)

Melting Pt (deg C): 74.68 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.06E-005 (Modified Grain method)

VP (Pa, 25 deg C) : 0.00141 (Modified Grain method)

MP (exp database): 67 deg C

Subcooled liquid VP: 2.62E-005 mm Hg (25 deg C, Mod-Grain method)

: 0.00349 Pa (25 deg C, Mod-Grain method)

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

Water Solubility at 25 deg C (mg/L): 266.9

log Kow used: 3.20 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 105.92 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Benzyl Alcohols

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

Bond Method : 2.33E-008 atm-m3/mole (2.36E-003 Pa-m3/mole)

Group Method: Incomplete

For Henry LC Comparison Purposes:

User-Entered Henry LC: not entered

Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:

HLC: 1.036E-008 atm-m3/mole (1.050E-003 Pa-m3/mole)

VP: 1.06E-005 mm Hg (source: MPBPVP)

WS: 267 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.20 (KowWin est)

Log Kaw used: -6.021 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 9.221

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 1.1227

Biowin2 (Non-Linear Model) : 0.9959

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.8902 (weeks )

Biowin4 (Primary Survey Model) : 3.6324 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3002

Biowin6 (MITI Non-Linear Model): 0.2985

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.3622

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

Structure incompatible with current estimation method!

Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:

Vapor pressure (liquid/subcooled): 0.00349 Pa (2.62E-005 mm Hg)

Log Koa (Koawin est ): 9.221

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

Mackay model : 0.000859

Octanol/air (Koa) model: 0.000408

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.0301

Mackay model : 0.0643

Octanol/air (Koa) model: 0.0316

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.1115 E-12 cm3/molecule-sec

Half-Life = 0.560 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.716 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.0472 (Junge-Pankow, Mackay avg)

0.0316 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1314 L/kg (MCI method)

Log Koc: 3.119 (MCI method)

Koc : 192.2 L/kg (Kow method)

Log Koc: 2.284 (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 = 1.523 (BCF = 33.37 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -1.1427 days (HL = 0.07199 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.409 (BCF = 25.63)

Log BAF Arnot-Gobas method (upper trophic) = 1.409 (BAF = 25.63)

log Kow used: 3.20 (estimated)

Volatilization from Water:

Henry LC: 2.33E-008 atm-m3/mole (estimated by Bond SAR Method)

Half-Life from Model River: 3.538E+004 hours (1474 days)

Half-Life from Model Lake : 3.861E+005 hours (1.609E+004 days)

Removal In Wastewater Treatment:

Total removal: 7.80 percent

Total biodegradation: 0.14 percent

Total sludge adsorption: 7.66 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 0.297 13.4 1000

Water 18.3 360 1000

Soil 80.6 720 1000

Sediment 0.821 3.24e+003 0

Persistence Time: 669 hr

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