CAS Num: 068606-83-7
SMILES : CC(=O)(OCc1ccccc1)
CHEM   : Oils, cananga
MOL FOR: C9 H10 O2 
MOL WT : 150.18
------------------------------ 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) =  2.08
    Log Kow (Exper. database match) =  1.96
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  215.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -0.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.187  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  25  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -51.3 deg C
    BP  (exp database):  213 deg C
    VP  (exp database):  1.77E-01 mm Hg (2.36E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1605
       log Kow used: 1.96 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3100 mg/L (25 deg C)
        Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  839.48 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.42E-005  atm-m3/mole  (1.43E+000 Pa-m3/mole)
   Group Method:   1.51E-006  atm-m3/mole  (1.53E-001 Pa-m3/mole)
   Exper Database: 1.13E-05  atm-m3/mole  (1.14E+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:  2.302E-005 atm-m3/mole  (2.333E+000 Pa-m3/mole)
      VP:   0.187 mm Hg (source: MPBPVP)
      WS:   1.61E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.96  (exp database)
  Log Kaw used:  -3.335  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.295
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9783
   Biowin2 (Non-Linear Model)     :   0.9988
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0295  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8649  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5949
   Biowin6 (MITI Non-Linear Model):   0.7562
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6621
 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):  23.6 Pa (0.177 mm Hg)
  Log Koa (Koawin est  ): 5.295
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.27E-007 
       Octanol/air (Koa) model:  4.84E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.59E-006 
       Mackay model           :  1.02E-005 
       Octanol/air (Koa) model:  3.87E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.3816 E-12 cm3/molecule-sec
      Half-Life =     1.676 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    20.113 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.38E-006 (Junge-Pankow, Mackay avg)
      3.87E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  114.6  L/kg (MCI method)
      Log Koc:  2.059       (MCI method)
      Koc    :  87.83  L/kg (Kow method)
      Log Koc:  1.944       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.047E-001  L/mol-sec
  Kb Half-Life at pH 8:      19.824  days   
  Kb Half-Life at pH 7:     198.236  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.960 (BCF = 9.124 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.8708 days (HL = 0.01347 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.483 (BCF = 3.038)
   Log BAF Arnot-Gobas method (upper trophic) = 0.483 (BAF = 3.038)
       log Kow used: 1.96 (expkow database)

 Volatilization from Water:
    Henry LC:  1.13E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      64.75  hours   (2.698 days)
    Half-Life from Model Lake :      809.1  hours   (33.71 days)

 Removal In Wastewater Treatment:
    Total removal:               2.83  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.10  percent
    Total to Air:                0.63  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.86            40.2         1000       
   Water     26.9            360          1000       
   Soil      70              720          1000       
   Sediment  0.173           3.24e+003    0          
     Persistence Time: 446 hr