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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