CAS Num: 006379-72-2
SMILES : C=CCc1cc(OC)c(OC)cc1
CHEM   : 
MOL FOR: C11 H14 O2 
MOL WT : 178.23
------------------------------ 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) =  3.03

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  247.71  (Adapted Stein & Brown method)
    Melting Pt (deg C):  32.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00347  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.463  (Modified Grain method)
    MP  (exp database):  70 deg C
    BP  (exp database):  270.5 deg C
    VP  (exp database):  1.20E-02 mm Hg (1.60E+000 Pa) at 25 deg C
    Subcooled liquid VP: 0.0334 mm Hg (25 deg C, exp database VP )
                       : 4.46 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  144.8
       log Kow used: 3.03 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  500 mg/L (25 deg C)
        Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  17.606 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.73E-005  atm-m3/mole  (2.77E+000 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 5.60E-06  atm-m3/mole  (5.67E-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:  5.620E-006 atm-m3/mole  (5.694E-001 Pa-m3/mole)
      VP:   0.00347 mm Hg (source: MPBPVP)
      WS:   145 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.03  (KowWin est)
  Log Kaw used:  -3.640  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  6.670
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9812
   Biowin2 (Non-Linear Model)     :   0.9961
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6142  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6763  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5607
   Biowin6 (MITI Non-Linear Model):   0.5953
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4043
 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):  4.45 Pa (0.0334 mm Hg)
  Log Koa (Koawin est  ): 6.670
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.74E-007 
       Octanol/air (Koa) model:  1.15E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.43E-005 
       Mackay model           :  5.39E-005 
       Octanol/air (Koa) model:  9.18E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  75.1143 E-12 cm3/molecule-sec
      Half-Life =     0.142 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.709 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      3.91E-005 (Junge-Pankow, Mackay avg)
      9.18E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  340.6  L/kg (MCI method)
      Log Koc:  2.532       (MCI method)
      Koc    :  516.3  L/kg (Kow method)
      Log Koc:  2.713       (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 = 1.667 (BCF = 46.44 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2016 days (HL = 0.6286 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.898 (BCF = 79.02)
   Log BAF Arnot-Gobas method (upper trophic) = 1.898 (BAF = 79.03)
       log Kow used: 3.03 (estimated)

 Volatilization from Water:
    Henry LC:  5.6E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      140.9  hours   (5.873 days)
    Half-Life from Model Lake :       1649  hours   (68.73 days)

 Removal In Wastewater Treatment:
    Total removal:               6.24  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     5.82  percent
    Total to Air:                0.30  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.145           2.97         1000       
   Water     19.8            900          1000       
   Soil      79.7            1.8e+003     1000       
   Sediment  0.377           8.1e+003     0          
     Persistence Time: 990 hr