CAS Number: 928-36-9
SMILES : CC=CC#CC#CC=CC(=O)OC
CHEM   : 
MOL FOR: C11 H10 O2 
MOL WT : 174.20
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  2.97
    Log Kow (Exper. database match) =  2.45
       Exper. Ref:  MCLACHLAN,D ET AL. (1986)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  265.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  77.46  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0037  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.493  (Modified Grain method)
    Subcooled liquid VP: 0.0117 mm Hg (25 deg C, Mod-Grain method)
                       : 1.55 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  474.9
       log Kow used: 2.45 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  491.71 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.90E-005  atm-m3/mole  (2.94E+000 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:  1.786E-006 atm-m3/mole  (1.809E-001 Pa-m3/mole)
      VP:   0.0037 mm Hg (source: MPBPVP)
      WS:   475 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.45  (exp database)
  Log Kaw used:  -2.926  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.376
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8388
   Biowin2 (Non-Linear Model)     :   0.9902
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9544  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8254  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5632
   Biowin6 (MITI Non-Linear Model):   0.5239
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5547
 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):  1.56 Pa (0.0117 mm Hg)
  Log Koa (Koawin est  ): 5.376
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.92E-006 
       Octanol/air (Koa) model:  5.83E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.95E-005 
       Mackay model           :  0.000154 
       Octanol/air (Koa) model:  4.67E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 159.0056 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 172.3436 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.807 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.745 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.662250 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     1.318500 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.730 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =    20.860 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      0.000112 (Junge-Pankow, Mackay avg)
      4.67E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  390.2  L/kg (MCI method)
      Log Koc:  2.591       (MCI method)
      Koc    :  163.9  L/kg (Kow method)
      Log Koc:  2.215       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.354E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.348  years  
  Kb Half-Life at pH 7:      23.480  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.284 (BCF = 19.21 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1057 days (HL = 0.07839 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.161 (BCF = 14.48)
   Log BAF Arnot-Gobas method (upper trophic) = 1.161 (BAF = 14.48)
       log Kow used: 2.45 (expkow database)
 
 Volatilization from Water:
    Henry LC:  2.9E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      27.99  hours   (1.166 days)
    Half-Life from Model Lake :      416.1  hours   (17.34 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.48  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.83  percent
    Total to Air:                1.55  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.182           1.55         1000       
   Water     24.3            360          1000       
   Soil      75.1            720          1000       
   Sediment  0.39            3.24e+003    0          
     Persistence Time: 441 hr