CAS Number: 16580-24-8
SMILES : C(CC(C1)C)CC1C(C)C
CHEM   : CYCLOHEXANE, 1-METHYL-3-(1-METHYLETHYL)-
MOL FOR: C10 H20 
MOL WT : 140.27
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  4.92
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  154.91  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -52.89  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.45  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  327  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  166.5 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.526
       log Kow used: 4.92 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.0524 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.92E-001  atm-m3/mole  (8.03E+004 Pa-m3/mole)
   Group Method:   1.34E+000  atm-m3/mole  (1.36E+005 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:  2.963E-001 atm-m3/mole  (3.002E+004 Pa-m3/mole)
      VP:   2.45 mm Hg (source: MPBPVP)
      WS:   1.53 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.92  (KowWin est)
  Log Kaw used:  1.510  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.410
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6808
   Biowin2 (Non-Linear Model)     :   0.7344
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8892  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6454  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3492
   Biowin6 (MITI Non-Linear Model):   0.2936
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0304
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.8996
     BioHC Half-Life (days)     :   7.9362
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  299 Pa (2.24 mm Hg)
  Log Koa (Koawin est  ): 3.410
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1E-008 
       Octanol/air (Koa) model:  6.31E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.63E-007 
       Mackay model           :  8.04E-007 
       Octanol/air (Koa) model:  5.05E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.0853 E-12 cm3/molecule-sec
      Half-Life =     0.709 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.508 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.83E-007 (Junge-Pankow, Mackay avg)
      5.05E-008 (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    :  1.861E+004  L/kg (Kow method)
      Log Koc:  4.270       (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 v3.01):
   Log BCF from regression-based method = 2.913 (BCF = 818.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5695 days (HL = 3.711 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.104 (BCF = 1271)
   Log BAF Arnot-Gobas method (upper trophic) = 3.127 (BAF = 1341)
       log Kow used: 4.92 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.792 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.209  hours
    Half-Life from Model Lake :      112.5  hours   (4.688 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.78  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:    46.24  percent
    Total to Air:               53.39  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       19.3            17           1000       
   Water     73.7            360          1000       
   Soil      4.13            720          1000       
   Sediment  2.86            3.24e+003    0          
     Persistence Time: 83.4 hr