CAS Num: 068683-20-5
SMILES : O=COCCC1=CCC(=CC1)C(C)C
CHEM   : Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate
MOL FOR: C12 H18 O2 
MOL WT : 194.28
------------------------------ 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) =  4.23

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  253.24  (Adapted Stein & Brown method)
    Melting Pt (deg C):  33.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0187  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.49  (Modified Grain method)
    Subcooled liquid VP: 0.0225 mm Hg (25 deg C, Mod-Grain method)
                       : 3 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  11.35
       log Kow used: 4.23 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  56.002 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.94E-003  atm-m3/mole  (1.97E+002 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:  4.212E-004 atm-m3/mole  (4.268E+001 Pa-m3/mole)
      VP:   0.0187 mm Hg (source: MPBPVP)
      WS:   11.4 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.23  (KowWin est)
  Log Kaw used:  -1.101  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.331
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8292
   Biowin2 (Non-Linear Model)     :   0.9870
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9101  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7964  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5787
   Biowin6 (MITI Non-Linear Model):   0.6663
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3478
 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):  3 Pa (0.0225 mm Hg)
  Log Koa (Koawin est  ): 5.331
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1E-006 
       Octanol/air (Koa) model:  5.26E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.61E-005 
       Mackay model           :  8E-005 
       Octanol/air (Koa) model:  4.21E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 180.9295 E-12 cm3/molecule-sec
      Half-Life =     0.059 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.709 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    86.000000 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     19.189 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      5.81E-005 (Junge-Pankow, Mackay avg)
      4.21E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  652.4  L/kg (MCI method)
      Log Koc:  2.815       (MCI method)
      Koc    :  1582  L/kg (Kow method)
      Log Koc:  3.199       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.483E+001  L/mol-sec
  Kb Half-Life at pH 8:      12.987  hours  
  Kb Half-Life at pH 7:       5.411  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.460 (BCF = 288.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7572 days (HL = 0.1749 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.857 (BCF = 72)
   Log BAF Arnot-Gobas method (upper trophic) = 1.857 (BAF = 72)
       log Kow used: 4.23 (estimated)

 Volatilization from Water:
    Henry LC:  0.00194 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.843  hours
    Half-Life from Model Lake :        137  hours   (5.707 days)

 Removal In Wastewater Treatment:
    Total removal:              62.73  percent
    Total biodegradation:        0.29  percent
    Total sludge adsorption:    34.87  percent
    Total to Air:               27.57  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0757          0.261        1000       
   Water     22.3            360          1000       
   Soil      77              720          1000       
   Sediment  0.548           3.24e+003    0          
     Persistence Time: 293 hr