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CAS Number: 92-88-6

SMILES : Oc(ccc(c(ccc(O)c1)c1)c2)c2

CHEM : 1,1'-Biphenyl -4,4'-diol

MOL FOR: C12 H10 O2

MOL WT : 186.21

------------------------------ EPI SUMMARY (v4.11) --------------------------

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 v1.68 estimate) = 2.80

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

Boiling Pt (deg C): 354.41 (Adapted Stein & Brown method)

Melting Pt (deg C): 126.99 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 1.15E-008 (Modified Grain method)

VP (Pa, 25 deg C) : 1.53E-006 (Modified Grain method)

MP (exp database): 283 deg C

Subcooled liquid VP: 8.22E-006 mm Hg (25 deg C, Mod-Grain method)

: 0.0011 Pa (25 deg C, Mod-Grain method)

Water Solubility Estimate from Log Kow (WSKOW v1.42):

Water Solubility at 25 deg C (mg/L): 798.2

log Kow used: 2.80 (estimated)

no-melting pt equation used

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1977.9 mg/L

ECOSAR Class Program (ECOSAR v1.11):

Class(es) found:

Phenols, Poly

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

Bond Method : 4.48E-012 atm-m3/mole (4.54E-007 Pa-m3/mole)

Group Method: 6.43E-012 atm-m3/mole (6.52E-007 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: 3.530E-012 atm-m3/mole (3.577E-007 Pa-m3/mole)

VP: 1.15E-008 mm Hg (source: MPBPVP)

WS: 798 mg/L (source: WSKOWWIN)

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

Log Kow used: 2.80 (KowWin est)

Log Kaw used: -9.737 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 12.537

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8905

Biowin2 (Non-Linear Model) : 0.8986

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.9004 (weeks )

Biowin4 (Primary Survey Model) : 3.6585 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3524

Biowin6 (MITI Non-Linear Model): 0.2866

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): 0.2341

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): 0.0011 Pa (8.22E-006 mm Hg)

Log Koa (Koawin est ): 12.537

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

Mackay model : 0.00274

Octanol/air (Koa) model: 0.845

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.09

Mackay model : 0.18

Octanol/air (Koa) model: 0.985

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 47.8979 E-12 cm3/molecule-sec

Half-Life = 0.223 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 2.680 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Reaction With Nitrate Radicals May Be Important!

Fraction sorbed to airborne particulates (phi):

0.135 (Junge-Pankow, Mackay avg)

0.985 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8462 L/kg (MCI method)

Log Koc: 3.927 (MCI method)

Koc : 642 L/kg (Kow method)

Log Koc: 2.808 (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 v3.01):

Log BCF from regression-based method = 1.512 (BCF = 32.52 L/kg wet-wt)

Log Biotransformation Half-life (HL) = -0.5015 days (HL = 0.3152 days)

Log BCF Arnot-Gobas method (upper trophic) = 1.637 (BCF = 43.33)

Log BAF Arnot-Gobas method (upper trophic) = 1.637 (BAF = 43.33)

log Kow used: 2.80 (estimated)

Volatilization from Water:

Henry LC: 6.43E-012 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 1.243E+008 hours (5.177E+006 days)

Half-Life from Model Lake : 1.355E+009 hours (5.648E+007 days)

Removal In Wastewater Treatment:

Total removal: 4.31 percent

Total biodegradation: 0.11 percent

Total sludge adsorption: 4.20 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 0.000935 5.36 1000

Water 15.2 360 1000

Soil 80.9 720 1000

Sediment 3.86 3.24e+003 0

Persistence Time: 811 hr

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