CAS Number: 79056-22-7
SMILES : Oc1ccc(cc1)C(C=Cc2ccc(O)cc2)C=C
CHEM   : 
MOL FOR: C17 H16 O2 
MOL WT : 252.32
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  4.83
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  394.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  145.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.86E-008  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.15E-006  (Modified Grain method)
    Subcooled liquid VP: 6.46E-007 mm Hg (25 deg C, Mod-Grain method)
                       : 8.62E-005 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  6.587
       log Kow used: 4.83 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  21.23 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols, Poly 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.97E-012  atm-m3/mole  (5.04E-007 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.946E-009 atm-m3/mole  (1.971E-004 Pa-m3/mole)
      VP:   3.86E-008 mm Hg (source: MPBPVP)
      WS:   6.59 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.83  (KowWin est)
  Log Kaw used:  -9.692  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  14.522
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9137
   Biowin2 (Non-Linear Model)     :   0.8606
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6795  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4946  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1769
   Biowin6 (MITI Non-Linear Model):   0.0820
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2149
 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):  8.61E-005 Pa (6.46E-007 mm Hg)
  Log Koa (Koawin est  ): 14.522
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0348 
       Octanol/air (Koa) model:  81.7 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.557 
       Mackay model           :  0.736 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 156.3580 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 163.9580 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.821 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.783 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     8.025000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    14.849999 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     3.427 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.852 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.647 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.567E+005  L/kg (MCI method)
      Log Koc:  5.195       (MCI method)
      Koc    :  8519  L/kg (Kow method)
      Log Koc:  3.930       (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 v3.01):
   Log BCF from regression-based method = 2.852 (BCF = 711.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1610 days (HL = 0.6902 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.444 (BCF = 277.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.444 (BAF = 278.3)
       log Kow used: 4.83 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.97E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.871E+008  hours   (7.797E+006 days)
    Half-Life from Model Lake : 2.041E+009  hours   (8.506E+007 days)
 
 Removal In Wastewater Treatment:
    Total removal:              71.60  percent
    Total biodegradation:        0.64  percent
    Total sludge adsorption:    70.96  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.88e-005       1.11         1000       
   Water     4.99            900          1000       
   Soil      57.3            1.8e+003     1000       
   Sediment  37.7            8.1e+003     0          
     Persistence Time: 2.86e+003 hr