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CAS Num: 000086-26-0

SMILES : O(c(c(c(cccc1)c1)ccc2)c2)C

CHEM : 1,1 -Biphenyl, 2-methoxy-

MOL FOR: C13 H12 O1

MOL WT : 184.24

------------------------------ 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) = 3.84

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

Boiling Pt (deg C): 303.85 (Adapted Stein & Brown method)

Melting Pt (deg C): 57.23 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00707 (Modified Grain method)

VP (Pa, 25 deg C) : 0.943 (Modified Grain method)

MP (exp database): 29 deg C

BP (exp database): 274 deg C

Subcooled liquid VP: 0.00767 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 27.7

log Kow used: 3.84 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 5.6062 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 2.45E-005 atm-m3/mole (2.48E+000 Pa-m3/mole)

Group Method: 3.46E-004 atm-m3/mole (3.50E+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: 6.187E-005 atm-m3/mole (6.269E+000 Pa-m3/mole)

VP: 0.00707 mm Hg (source: MPBPVP)

WS: 27.7 mg/L (source: WSKOWWIN)

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

Log Kow used: 3.84 (KowWin est)

Log Kaw used: -2.999 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.839

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.9198

Biowin2 (Non-Linear Model) : 0.9883

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7559 (weeks )

Biowin4 (Primary Survey Model) : 3.6639 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.4336

Biowin6 (MITI Non-Linear Model): 0.4086

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2938

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): 1.02 Pa (0.00767 mm Hg)

Log Koa (Koawin est ): 6.839

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

Mackay model : 2.93E-006

Octanol/air (Koa) model: 1.69E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.000106

Mackay model : 0.000235

Octanol/air (Koa) model: 0.000136

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 19.5794 E-12 cm3/molecule-sec

Half-Life = 0.546 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 6.555 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.00017 (Junge-Pankow, Mackay avg)

0.000136 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 3354 L/kg (MCI method)

Log Koc: 3.526 (MCI method)

Koc : 1274 L/kg (Kow method)

Log Koc: 3.105 (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 = 2.199 (BCF = 158.2 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.6080 days (HL = 4.055 days)

Log BCF Arnot-Gobas method (upper trophic) = 2.705 (BCF = 506.9)

Log BAF Arnot-Gobas method (upper trophic) = 2.707 (BAF = 509.7)

log Kow used: 3.84 (estimated)

Volatilization from Water:

Henry LC: 0.000346 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 3.682 hours

Half-Life from Model Lake : 154 hours (6.416 days)

Removal In Wastewater Treatment:

Total removal: 32.61 percent

Total biodegradation: 0.24 percent

Total sludge adsorption: 21.79 percent

Total to Air: 10.58 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.66 13.1 1000

Water 17.7 360 1000

Soil 78.8 720 1000

Sediment 1.87 3.24e+003 0

Persistence Time: 430 hr

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