CAS Number: 3728-56-1
SMILES : C1(CC)CCC(C)CC1
CHEM   : 1-ETHYL-4-METHYLCYLOHEXANE
MOL FOR: C9 H18 
MOL WT : 126.24
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  4.50
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  146.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -53.58  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.37  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  715  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -80.8 deg C
    BP  (exp database):  149 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3.949
       log Kow used: 4.50 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.9462 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.97E-001  atm-m3/mole  (6.05E+004 Pa-m3/mole)
   Group Method:   7.92E-001  atm-m3/mole  (8.02E+004 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:  2.259E-001 atm-m3/mole  (2.289E+004 Pa-m3/mole)
      VP:   5.37 mm Hg (source: MPBPVP)
      WS:   3.95 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.50  (KowWin est)
  Log Kaw used:  1.388  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.112
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6874
   Biowin2 (Non-Linear Model)     :   0.7714
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9202  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6656  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4906
   Biowin6 (MITI Non-Linear Model):   0.5092
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3018
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.7719
     BioHC Half-Life (days)     :   5.9144
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  657 Pa (4.93 mm Hg)
  Log Koa (Koawin est  ): 3.112
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.56E-009 
       Octanol/air (Koa) model:  3.18E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.65E-007 
       Mackay model           :  3.65E-007 
       Octanol/air (Koa) model:  2.54E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.6807 E-12 cm3/molecule-sec
      Half-Life =     0.782 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.382 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.65E-007 (Junge-Pankow, Mackay avg)
      2.54E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  715.8  L/kg (MCI method)
      Log Koc:  2.855       (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 v3.01):
   Log BCF from regression-based method = 2.637 (BCF = 433.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4474 days (HL = 2.802 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.932 (BCF = 855.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.938 (BAF = 866.6)
       log Kow used: 4.50 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.597 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.148  hours
    Half-Life from Model Lake :      106.7  hours   (4.447 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.68  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:    33.55  percent
    Total to Air:               66.03  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       20.8            18.8         1000       
   Water     73.6            360          1000       
   Soil      3.64            720          1000       
   Sediment  1.95            3.24e+003    0          
     Persistence Time: 83.5 hr