CAS Num: 000535-77-3
SMILES : c(cccc1C(C)C)(c1)C
CHEM   : Benzene, 1-methyl-3-(1-methylethyl)-
MOL FOR: C10 H14 
MOL WT : 134.22
------------------------------ 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) =  4.00
    Log Kow (Exper. database match) =  4.50
       Exper. Ref:  SHERBLOM,PM & EGANHOUSE,RP (1988)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  178.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -28.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.22  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  163  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -63.7 deg C
    BP  (exp database):  175.1 deg C
    VP  (exp database):  1.72E+00 mm Hg (2.29E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  12.7
       log Kow used: 4.50 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  42.5 mg/L (25 deg C)
        Exper. Ref:  LUN,R ET AL. (1997)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  28.93 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.16E-002  atm-m3/mole  (1.17E+003 Pa-m3/mole)
   Group Method:   1.31E-002  atm-m3/mole  (1.33E+003 Pa-m3/mole)
   Exper Database: 7.15E-03  atm-m3/mole  (7.24E+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:  1.697E-002 atm-m3/mole  (1.719E+003 Pa-m3/mole)
      VP:   1.22 mm Hg (source: MPBPVP)
      WS:   12.7 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.50  (exp database)
  Log Kaw used:  -0.534  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.034
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7930
   Biowin2 (Non-Linear Model)     :   0.9052
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7529  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5170  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3782
   Biowin6 (MITI Non-Linear Model):   0.4353
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1579
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.0220
     BioHC Half-Life (days)     :  10.5190

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  229 Pa (1.72 mm Hg)
  Log Koa (Koawin est  ): 5.034
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.31E-008 
       Octanol/air (Koa) model:  2.65E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.72E-007 
       Mackay model           :  1.05E-006 
       Octanol/air (Koa) model:  2.12E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.4870 E-12 cm3/molecule-sec
      Half-Life =     0.738 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.860 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.6E-007 (Junge-Pankow, Mackay avg)
      2.12E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1120  L/kg (MCI method)
      Log Koc:  3.049       (MCI method)
      Koc    :  8038  L/kg (Kow method)
      Log Koc:  3.905       (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 = 2.636 (BCF = 432.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4358 days (HL = 2.728 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.633 (BCF = 429.6)
   Log BAF Arnot-Gobas method (upper trophic) = 2.634 (BAF = 430.6)
       log Kow used: 4.50 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00715 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.277  hours
    Half-Life from Model Lake :      111.1  hours   (4.628 days)

 Removal In Wastewater Treatment:
    Total removal:              83.43  percent
    Total biodegradation:        0.26  percent
    Total sludge adsorption:    41.65  percent
    Total to Air:               41.51  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.55            17.7         1000       
   Water     25.9            360          1000       
   Soil      67.5            720          1000       
   Sediment  1.01            3.24e+003    0          
     Persistence Time: 242 hr