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CAS Number: 613-33-2

SMILES : c1cc(C)ccc1c2ccc(C)cc2

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

MOL FOR: C14 H14

MOL WT : 182.27

------------------------------ 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) = 4.85

Log Kow (Exper. database match) = 5.09

Exper. Ref: DOUCETTE,WJ & ANDREN,AW (1987)

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

Boiling Pt (deg C): 303.29 (Adapted Stein & Brown method)

Melting Pt (deg C): 57.84 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.000256 (Modified Grain method)

VP (Pa, 25 deg C) : 0.0342 (Modified Grain method)

MP (exp database): 125 deg C

BP (exp database): 295 deg C

Subcooled liquid VP: 0.00254 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 2.415

log Kow used: 5.09 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 0.175 mg/L (25 deg C)

Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)

Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 1.0487 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 5.04E-004 atm-m3/mole (5.11E+001 Pa-m3/mole)

Group Method: 4.88E-004 atm-m3/mole (4.95E+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: 2.542E-005 atm-m3/mole (2.576E+000 Pa-m3/mole)

VP: 0.000256 mm Hg (source: MPBPVP)

WS: 2.42 mg/L (source: WSKOWWIN)

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

Log Kow used: 5.09 (exp database)

Log Kaw used: -1.686 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.776

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.7701

Biowin2 (Non-Linear Model) : 0.8285

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.6467 (weeks-months)

Biowin4 (Primary Survey Model) : 3.4477 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3186

Biowin6 (MITI Non-Linear Model): 0.2386

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.6709

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.4812

BioHC Half-Life (days) : 30.2845

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

Vapor pressure (liquid/subcooled): 0.339 Pa (0.00254 mm Hg)

Log Koa (Koawin est ): 6.776

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

Mackay model : 8.86E-006

Octanol/air (Koa) model: 1.47E-006

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 0.00032

Mackay model : 0.000708

Octanol/air (Koa) model: 0.000117

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 8.5768 E-12 cm3/molecule-sec

Half-Life = 1.247 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 14.965 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000514 (Junge-Pankow, Mackay avg)

0.000117 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 1.32E+004 L/kg (MCI method)

Log Koc: 4.121 (MCI method)

Koc : 2.613E+004 L/kg (Kow method)

Log Koc: 4.417 (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 = 3.025 (BCF = 1060 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 1.3408 days (HL = 21.92 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.660 (BCF = 4566)

Log BAF Arnot-Gobas method (upper trophic) = 4.065 (BAF = 1.163e+004)

log Kow used: 5.09 (expkow database)

Volatilization from Water:

Henry LC: 0.000488 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.997 hours

Half-Life from Model Lake : 145.9 hours (6.079 days)

Removal In Wastewater Treatment:

Total removal: 81.49 percent

Total biodegradation: 0.66 percent

Total sludge adsorption: 77.88 percent

Total to Air: 2.94 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 1.43 29.9 1000

Water 9.34 900 1000

Soil 82.1 1.8e+003 1000

Sediment 7.1 8.1e+003 0

Persistence Time: 1.04e+003 hr

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