CAS Number: 515-12-8
SMILES : CC1(CC)CCC(CC1C(C)C)C(C)C
CHEM   : (1R,2S,4R)-1-ethyl-1-methyl-2,4-bis(1-methylethyl)cyclohexane 
MOL FOR: C15 H30 
MOL WT : 210.41
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  7.19
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  227.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -1.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.137  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  18.3  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.008123
       log Kow used: 7.19 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0083637 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.27E+000  atm-m3/mole  (3.31E+005 Pa-m3/mole)
   Group Method:   1.09E+001  atm-m3/mole  (1.11E+006 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:  4.669E+000 atm-m3/mole  (4.731E+005 Pa-m3/mole)
      VP:   0.137 mm Hg (source: MPBPVP)
      WS:   0.00812 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.19  (KowWin est)
  Log Kaw used:  2.126  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.064
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4634
   Biowin2 (Non-Linear Model)     :   0.1542
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5221  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3907  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1884
   Biowin6 (MITI Non-Linear Model):   0.0869
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5624
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.5521
     BioHC Half-Life (days)     :  35.6534
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  17.2 Pa (0.129 mm Hg)
  Log Koa (Koawin est  ): 5.064
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.74E-007 
       Octanol/air (Koa) model:  2.84E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.3E-006 
       Mackay model           :  1.4E-005 
       Octanol/air (Koa) model:  2.28E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  18.3842 E-12 cm3/molecule-sec
      Half-Life =     0.582 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.982 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.01E-005 (Junge-Pankow, Mackay avg)
      2.28E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.58E+004  L/kg (MCI method)
      Log Koc:  4.199       (MCI method)
      Koc    :  1.737E+006  L/kg (Kow method)
      Log Koc:  6.240       (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 = 4.031 (BCF = 1.073e+004 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.2612 days (HL = 18.25 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.181 (BCF = 1516)
   Log BAF Arnot-Gobas method (upper trophic) = 5.221 (BAF = 1.662e+005)
       log Kow used: 7.19 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.27 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.48  hours
    Half-Life from Model Lake :      137.8  hours   (5.741 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.76  percent
    Total biodegradation:        0.30  percent
    Total sludge adsorption:    66.59  percent
    Total to Air:               31.87  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.47            14           1000       
   Water     57.2            900          1000       
   Soil      5.55            1.8e+003     1000       
   Sediment  29.8            8.1e+003     0          
     Persistence Time: 181 hr