CAS Num: 010094-34-5
SMILES : O=C(OC(Cc(cccc1)c1)(C)C)CCC
CHEM   : Butanoic acid, 1,1-dimethyl-2-phenylethyl ester
MOL FOR: C14 H20 O2 
MOL WT : 220.31
------------------------------ 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) =  4.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  285.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  49.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00257  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.343  (Modified Grain method)
    Subcooled liquid VP: 0.00429 mm Hg (25 deg C, Mod-Grain method)
                       : 0.571 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.701
       log Kow used: 4.43 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.2591 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.84E-005  atm-m3/mole  (5.91E+000 Pa-m3/mole)
   Group Method:   1.41E-005  atm-m3/mole  (1.43E+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:  1.307E-004 atm-m3/mole  (1.324E+001 Pa-m3/mole)
      VP:   0.00257 mm Hg (source: MPBPVP)
      WS:   5.7 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.43  (KowWin est)
  Log Kaw used:  -2.622  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.052
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8157
   Biowin2 (Non-Linear Model)     :   0.9902
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5876  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5418  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5535
   Biowin6 (MITI Non-Linear Model):   0.5996
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1062
 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):  0.572 Pa (0.00429 mm Hg)
  Log Koa (Koawin est  ): 7.052
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.24E-006 
       Octanol/air (Koa) model:  2.77E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000189 
       Mackay model           :  0.000419 
       Octanol/air (Koa) model:  0.000221 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.0007 E-12 cm3/molecule-sec
      Half-Life =     1.337 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.043 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000304 (Junge-Pankow, Mackay avg)
      0.000221 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1697  L/kg (MCI method)
      Log Koc:  3.230       (MCI method)
      Koc    :  2041  L/kg (Kow method)
      Log Koc:  3.310       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.391E-002  L/mol-sec
  Kb Half-Life at pH 8:     335.569  days   
  Kb Half-Life at pH 7:       9.187  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.587 (BCF = 386.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8747 days (HL = 0.1334 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.750 (BCF = 56.27)
   Log BAF Arnot-Gobas method (upper trophic) = 1.750 (BAF = 56.27)
       log Kow used: 4.43 (estimated)

 Volatilization from Water:
    Henry LC:  1.41E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      63.15  hours   (2.631 days)
    Half-Life from Model Lake :      813.3  hours   (33.89 days)

 Removal In Wastewater Treatment:
    Total removal:              52.54  percent
    Total biodegradation:        0.49  percent
    Total sludge adsorption:    51.69  percent
    Total to Air:                0.35  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.05            32.1         1000       
   Water     16.9            900          1000       
   Soil      80.4            1.8e+003     1000       
   Sediment  1.62            8.1e+003     0          
     Persistence Time: 1.06e+003 hr