CAS Number: 57006-69-6
SMILES : CC=CC=CCOC(=O)C
CHEM   : 
MOL FOR: C8 H12 O2 
MOL WT : 140.18
------------------------------ 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) =  2.40
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  182.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -33.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.836  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  111  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  747.7
       log Kow used: 2.40 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2156.2 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.56E-004  atm-m3/mole  (4.62E+001 Pa-m3/mole)
   Group Method:   6.89E-005  atm-m3/mole  (6.99E+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:  2.062E-004 atm-m3/mole  (2.090E+001 Pa-m3/mole)
      VP:   0.836 mm Hg (source: MPBPVP)
      WS:   748 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.40  (KowWin est)
  Log Kaw used:  -1.729  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.129
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9634
   Biowin2 (Non-Linear Model)     :   0.9990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3279  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1435  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7138
   Biowin6 (MITI Non-Linear Model):   0.8187
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2630
 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):  101 Pa (0.76 mm Hg)
  Log Koa (Koawin est  ): 4.129
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.96E-008 
       Octanol/air (Koa) model:  3.3E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.07E-006 
       Mackay model           :  2.37E-006 
       Octanol/air (Koa) model:  2.64E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 143.6726 E-12 cm3/molecule-sec
      Half-Life =     0.074 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.893 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    32.000000 E-17 cm3/molecule-sec
      Half-Life =     0.036 Days (at 7E11 mol/cm3)
      Half-Life =     51.570 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      1.72E-006 (Junge-Pankow, Mackay avg)
      2.64E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  61.58  L/kg (MCI method)
      Log Koc:  1.789       (MCI method)
      Koc    :  153.8  L/kg (Kow method)
      Log Koc:  2.187       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.467E-001  L/mol-sec
  Kb Half-Life at pH 8:      23.141  days   
  Kb Half-Life at pH 7:     231.410  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.250 (BCF = 17.77 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9760 days (HL = 0.1057 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.191 (BCF = 15.53)
   Log BAF Arnot-Gobas method (upper trophic) = 1.191 (BAF = 15.53)
       log Kow used: 2.40 (estimated)
 
 Volatilization from Water:
    Henry LC:  6.89E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      11.27  hours
    Half-Life from Model Lake :      222.2  hours   (9.259 days)
 
 Removal In Wastewater Treatment:
    Total removal:               6.24  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.67  percent
    Total to Air:                3.47  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.139           0.58         1000       
   Water     30.3            208          1000       
   Soil      69.4            416          1000       
   Sediment  0.117           1.87e+003    0          
     Persistence Time: 241 hr