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CAS Num: 000644-08-6

SMILES : c1ccccc1c2ccc(C)cc2

CHEM : 1,1 -Biphenyl, 4-methyl-

MOL FOR: C13 H12

MOL WT : 168.24

------------------------------ 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) = 4.30

Log Kow (Exper. database match) = 4.63

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

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

Boiling Pt (deg C): 288.36 (Adapted Stein & Brown method)

Melting Pt (deg C): 41.59 (Mean or Weighted MP)

VP(mm Hg,25 deg C): 0.00642 (Modified Grain method)

VP (Pa, 25 deg C) : 0.856 (Modified Grain method)

MP (exp database): 49.5 deg C

BP (exp database): 267.5 deg C

Subcooled liquid VP: 0.0108 mm Hg (25 deg C, Mod-Grain method)

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

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

Water Solubility at 25 deg C (mg/L): 6.968

log Kow used: 4.63 (expkow database)

no-melting pt equation used

Water Sol (Exper. database match) = 4.05 mg/L (25 deg C)


Water Sol Estimate from Fragments:

Wat Sol (v1.01 est) = 3.2452 mg/L

ECOSAR Class Program (ECOSAR v1.00):

Class(es) found:

Neutral Organics

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

Bond Method : 4.57E-004 atm-m3/mole (4.63E+001 Pa-m3/mole)

Group Method: 4.55E-004 atm-m3/mole (4.62E+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: 2.040E-004 atm-m3/mole (2.067E+001 Pa-m3/mole)

VP: 0.00642 mm Hg (source: MPBPVP)

WS: 6.97 mg/L (source: WSKOWWIN)

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

Log Kow used: 4.63 (exp database)

Log Kaw used: -1.729 (HenryWin est)

Log Koa (KOAWIN v1.10 estimate): 6.359

Log Koa (experimental database): None

Probability of Rapid Biodegradation (BIOWIN v4.10):

Biowin1 (Linear Model) : 0.8502

Biowin2 (Non-Linear Model) : 0.9524

Expert Survey Biodegradation Results:

Biowin3 (Ultimate Survey Model): 2.7745 (weeks )

Biowin4 (Primary Survey Model) : 3.5414 (days-weeks )

MITI Biodegradation Probability:

Biowin5 (MITI Linear Model) : 0.3270

Biowin6 (MITI Non-Linear Model): 0.2803

Anaerobic Biodegradation Probability:

Biowin7 (Anaerobic Linear Model): -0.1764

Ready Biodegradability Prediction: NO

Hydrocarbon Biodegradation (BioHCwin v1.01):

LOG BioHC Half-Life (days) : 1.4863

BioHC Half-Life (days) : 30.6401

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

Vapor pressure (liquid/subcooled): 1.44 Pa (0.0108 mm Hg)

Log Koa (Koawin est ): 6.359

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

Mackay model : 2.08E-006

Octanol/air (Koa) model: 5.61E-007

Fraction sorbed to airborne particulates (phi):

Junge-Pankow model : 7.52E-005

Mackay model : 0.000167

Octanol/air (Koa) model: 4.49E-005

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

Hydroxyl Radicals Reaction:

OVERALL OH Rate Constant = 7.6758 E-12 cm3/molecule-sec

Half-Life = 1.393 Days (12-hr day; 1.5E6 OH/cm3)

Half-Life = 16.722 Hrs

Ozone Reaction:

No Ozone Reaction Estimation

Fraction sorbed to airborne particulates (phi):

0.000121 (Junge-Pankow, Mackay avg)

4.49E-005 (Koa method)

Note: the sorbed fraction may be resistant to atmospheric oxidation

Soil Adsorption Coefficient (KOCWIN v2.00):

Koc : 8229 L/kg (MCI method)

Log Koc: 3.915 (MCI method)

Koc : 1.042E+004 L/kg (Kow method)

Log Koc: 4.018 (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 = 2.722 (BCF = 527.1 L/kg wet-wt)

Log Biotransformation Half-life (HL) = 0.8077 days (HL = 6.422 days)

Log BCF Arnot-Gobas method (upper trophic) = 3.208 (BCF = 1613)

Log BAF Arnot-Gobas method (upper trophic) = 3.240 (BAF = 1736)

log Kow used: 4.63 (expkow database)

Volatilization from Water:

Henry LC: 0.000455 atm-m3/mole (estimated by Group SAR Method)

Half-Life from Model River: 2.993 hours

Half-Life from Model Lake : 141.4 hours (5.892 days)

Removal In Wastewater Treatment:

Total removal: 66.26 percent

Total biodegradation: 0.53 percent

Total sludge adsorption: 59.62 percent

Total to Air: 6.12 percent

(using 10000 hr Bio P,A,S)

Level III Fugacity Model:

Mass Amount Half-Life Emissions

(percent) (hr) (kg/hr)

Air 3.27 33.4 1000

Water 16.3 360 1000

Soil 76.4 720 1000

Sediment 4.03 3.24e+003 0

Persistence Time: 449 hr

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