CAS Num: 010099-57-7
SMILES : OCCc(ccc(c1)C(C)C)c1
CHEM   : Benzeneethanol, 4-(1-methylethyl)-
MOL FOR: C11 H16 O1 
MOL WT : 164.25
------------------------------ 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) =  3.02

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  267.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  33.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000901  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.12  (Modified Grain method)
    Subcooled liquid VP: 0.00108 mm Hg (25 deg C, Mod-Grain method)
                       : 0.144 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  555.2
       log Kow used: 3.02 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  900 mg/L (35 deg C)
        Exper. Ref:  BEILSTEIN

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  600.95 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.61E-007  atm-m3/mole  (5.69E-002 Pa-m3/mole)
   Group Method:   2.34E-007  atm-m3/mole  (2.37E-002 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:  3.507E-007 atm-m3/mole  (3.554E-002 Pa-m3/mole)
      VP:   0.000901 mm Hg (source: MPBPVP)
      WS:   555 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.02  (KowWin est)
  Log Kaw used:  -4.639  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.659
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9374
   Biowin2 (Non-Linear Model)     :   0.9502
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8465  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6032  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4023
   Biowin6 (MITI Non-Linear Model):   0.4688
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2508
 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):  0.144 Pa (0.00108 mm Hg)
  Log Koa (Koawin est  ): 7.659
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.08E-005 
       Octanol/air (Koa) model:  1.12E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000752 
       Mackay model           :  0.00166 
       Octanol/air (Koa) model:  0.000895 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.4147 E-12 cm3/molecule-sec
      Half-Life =     0.797 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.568 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00121 (Junge-Pankow, Mackay avg)
      0.000895 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  187.2  L/kg (MCI method)
      Log Koc:  2.272       (MCI method)
      Koc    :  152.8  L/kg (Kow method)
      Log Koc:  2.184       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.406 (BCF = 25.45 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3820 days (HL = 0.415 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.828 (BCF = 67.23)
   Log BAF Arnot-Gobas method (upper trophic) = 1.828 (BAF = 67.24)
       log Kow used: 3.02 (estimated)

 Volatilization from Water:
    Henry LC:  2.34E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       3208  hours   (133.7 days)
    Half-Life from Model Lake :  3.51E+004  hours   (1463 days)

 Removal In Wastewater Treatment:
    Total removal:               5.88  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     5.74  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.13            19.1         1000       
   Water     24.1            360          1000       
   Soil      74.6            720          1000       
   Sediment  0.218           3.24e+003    0          
     Persistence Time: 514 hr