CAS Num: 010058-43-2
SMILES : O=COC(Cc(cccc1)c1)(C)C
CHEM   : Benzeneethanol, .alpha.,.alpha.-dimethyl-, formate
MOL FOR: C11 H14 O2 
MOL WT : 178.23
------------------------------ 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) =  2.90

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  236.01  (Adapted Stein & Brown method)
    Melting Pt (deg C):  26.13  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0531  (Modified Grain method)
    VP (Pa, 25 deg C) :  7.08  (Modified Grain method)
    Subcooled liquid VP: 0.0544 mm Hg (25 deg C, Mod-Grain method)
                       : 7.25 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  189
       log Kow used: 2.90 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  125.83 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.53E-005  atm-m3/mole  (4.59E+000 Pa-m3/mole)
   Group Method:   1.23E-005  atm-m3/mole  (1.24E+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:  6.589E-005 atm-m3/mole  (6.676E+000 Pa-m3/mole)
      VP:   0.0531 mm Hg (source: MPBPVP)
      WS:   189 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.90  (KowWin est)
  Log Kaw used:  -2.732  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.632
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8357
   Biowin2 (Non-Linear Model)     :   0.9946
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6805  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6025  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5795
   Biowin6 (MITI Non-Linear Model):   0.6771
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1338
 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):  7.25 Pa (0.0544 mm Hg)
  Log Koa (Koawin est  ): 5.632
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.14E-007 
       Octanol/air (Koa) model:  1.05E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.49E-005 
       Mackay model           :  3.31E-005 
       Octanol/air (Koa) model:  8.42E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.3284 E-12 cm3/molecule-sec
      Half-Life =     1.690 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    20.282 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.4E-005 (Junge-Pankow, Mackay avg)
      8.42E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  318.5  L/kg (MCI method)
      Log Koc:  2.503       (MCI method)
      Koc    :  290.8  L/kg (Kow method)
      Log Koc:  2.464       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.656E+000  L/mol-sec
  Kb Half-Life at pH 8:       1.418  days   
  Kb Half-Life at pH 7:      14.183  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.578 (BCF = 37.81 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.5303 days (HL = 0.02949 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.032 (BCF = 10.77)
   Log BAF Arnot-Gobas method (upper trophic) = 1.032 (BAF = 10.77)
       log Kow used: 2.90 (estimated)

 Volatilization from Water:
    Henry LC:  1.23E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      64.91  hours   (2.705 days)
    Half-Life from Model Lake :      820.1  hours   (34.17 days)

 Removal In Wastewater Treatment:
    Total removal:               5.57  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:     4.79  percent
    Total to Air:                0.66  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.33            40.6         1000       
   Water     19.4            900          1000       
   Soil      78.9            1.8e+003     1000       
   Sediment  0.348           8.1e+003     0          
     Persistence Time: 993 hr