CAS Num: 000874-90-8
SMILES : C(#N)c(ccc(OC)c1)c1
CHEM   : Benzonitrile, 4-methoxy-
MOL FOR: C8 H7 N1 O1 
MOL WT : 133.15
------------------------------ 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) =  1.62
    Log Kow (Exper. database match) =  1.70
       Exper. Ref:  WANG,W ET AL. (1987)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  230.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  27.05  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0087  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.16  (Modified Grain method)
    MP  (exp database):  61.5 deg C
    BP  (exp database):  256.5 deg C
    Subcooled liquid VP: 0.019 mm Hg (25 deg C, Mod-Grain method)
                       : 2.54 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1715
       log Kow used: 1.70 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  317.27 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.08E-006  atm-m3/mole  (3.12E-001 Pa-m3/mole)
   Group Method:   3.62E-005  atm-m3/mole  (3.67E+000 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:  8.888E-007 atm-m3/mole  (9.005E-002 Pa-m3/mole)
      VP:   0.0087 mm Hg (source: MPBPVP)
      WS:   1.72E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.70  (exp database)
  Log Kaw used:  -3.900  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.600
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1231
   Biowin2 (Non-Linear Model)     :   0.9997
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7644  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6676  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6162
   Biowin6 (MITI Non-Linear Model):   0.6766
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5528
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.53 Pa (0.019 mm Hg)
  Log Koa (Koawin est  ): 5.600
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.18E-006 
       Octanol/air (Koa) model:  9.77E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.28E-005 
       Mackay model           :  9.47E-005 
       Octanol/air (Koa) model:  7.82E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.6266 E-12 cm3/molecule-sec
      Half-Life =     2.312 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    27.742 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.87E-005 (Junge-Pankow, Mackay avg)
      7.82E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  61.44  L/kg (MCI method)
      Log Koc:  1.788       (MCI method)
      Koc    :  205.8  L/kg (Kow method)
      Log Koc:  2.314       (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 = 0.789 (BCF = 6.147 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3883 days (HL = 0.409 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.764 (BCF = 5.803)
   Log BAF Arnot-Gobas method (upper trophic) = 0.764 (BAF = 5.803)
       log Kow used: 1.70 (expkow database)

 Volatilization from Water:
    Henry LC:  3.62E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      19.84  hours
    Half-Life from Model Lake :      313.2  hours   (13.05 days)

 Removal In Wastewater Treatment:
    Total removal:               3.94  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.92  percent
    Total to Air:                1.93  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.25            55.5         1000       
   Water     28.5            360          1000       
   Soil      67.1            720          1000       
   Sediment  0.124           3.24e+003    0          
     Persistence Time: 411 hr