CAS Num: 000098-51-1
SMILES : c(ccc(c1)C)(c1)C(C)(C)C
CHEM   : Benzene, 1-(1,1-dimethylethyl)-4-methyl-
MOL FOR: C11 H16 
MOL WT : 148.25
------------------------------ 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) =  4.45
    Log Kow (Exper. database match) =  5.17
       Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  190.77  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -10.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.592  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  79  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -52 deg C
    BP  (exp database):  190 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.969
       log Kow used: 5.17 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13.627 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.54E-002  atm-m3/mole  (1.56E+003 Pa-m3/mole)
   Group Method:   1.25E-002  atm-m3/mole  (1.27E+003 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:  3.889E-002 atm-m3/mole  (3.941E+003 Pa-m3/mole)
      VP:   0.592 mm Hg (source: MPBPVP)
      WS:   2.97 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.17  (exp database)
  Log Kaw used:  -0.201  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.371
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5477
   Biowin2 (Non-Linear Model)     :   0.4397
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5846  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4119  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4143
   Biowin6 (MITI Non-Linear Model):   0.3754
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4904
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.9945
     BioHC Half-Life (days)     :   9.8748

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  71.9 Pa (0.539 mm Hg)
  Log Koa (Koawin est  ): 5.371
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.17E-008 
       Octanol/air (Koa) model:  5.77E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.51E-006 
       Mackay model           :  3.34E-006 
       Octanol/air (Koa) model:  4.61E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.7444 E-12 cm3/molecule-sec
      Half-Life =     1.586 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    19.031 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.42E-006 (Junge-Pankow, Mackay avg)
      4.61E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1606  L/kg (MCI method)
      Log Koc:  3.206       (MCI method)
      Koc    :  3.067E+004  L/kg (Kow method)
      Log Koc:  4.487       (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 = 3.078 (BCF = 1197 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8373 days (HL = 6.875 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.895 (BCF = 784.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.908 (BAF = 809.7)
       log Kow used: 5.17 (expkow database)

 Volatilization from Water:
    Henry LC:  0.0125 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.299  hours
    Half-Life from Model Lake :      116.3  hours   (4.845 days)

 Removal In Wastewater Treatment:
    Total removal:              91.94  percent
    Total biodegradation:        0.41  percent
    Total sludge adsorption:    65.12  percent
    Total to Air:               26.41  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.48            18.3         1000       
   Water     26.6            900          1000       
   Soil      65.5            1.8e+003     1000       
   Sediment  2.38            8.1e+003     0          
     Persistence Time: 299 hr