CAS Number: 1795-15-9
SMILES : C(CCCC1)(C1)CCCCCCCC
CHEM   : Cyclohexane, octyl-
MOL FOR: C14 H28 
MOL WT : 196.38
------------------------------ 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) =  7.03
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  251.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  7.34  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0215  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.87  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -20 deg C
    BP  (exp database):  264 deg C
    VP  (exp database):  9.15E-03 mm Hg (1.22E+000 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.01312
       log Kow used: 7.03 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0059968 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.46E+000  atm-m3/mole  (2.49E+005 Pa-m3/mole)
   Group Method:   3.70E+000  atm-m3/mole  (3.75E+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:  4.234E-001 atm-m3/mole  (4.290E+004 Pa-m3/mole)
      VP:   0.0215 mm Hg (source: MPBPVP)
      WS:   0.0131 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.03  (KowWin est)
  Log Kaw used:  2.002  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.028
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7625
   Biowin2 (Non-Linear Model)     :   0.8873
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0635  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8335  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5853
   Biowin6 (MITI Non-Linear Model):   0.7182
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0601
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.3288
     BioHC Half-Life (days)     :  21.3183
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.22 Pa (0.00915 mm Hg)
  Log Koa (Koawin est  ): 5.028
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.46E-006 
       Octanol/air (Koa) model:  2.62E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.88E-005 
       Mackay model           :  0.000197 
       Octanol/air (Koa) model:  2.09E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  20.4697 E-12 cm3/molecule-sec
      Half-Life =     0.523 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.270 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000143 (Junge-Pankow, Mackay avg)
      2.09E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.634E+004  L/kg (MCI method)
      Log Koc:  4.213       (MCI method)
      Koc    :  1.262E+006  L/kg (Kow method)
      Log Koc:  6.101       (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 = 3.512 (BCF = 3254 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0626 days (HL = 11.55 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.155 (BCF = 1430)
   Log BAF Arnot-Gobas method (upper trophic) = 4.837 (BAF = 6.873e+004)
       log Kow used: 7.03 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.46 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.43  hours
    Half-Life from Model Lake :      133.1  hours   (5.546 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.83  percent
    Total biodegradation:        0.29  percent
    Total sludge adsorption:    66.11  percent
    Total to Air:               32.43  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.81            12.5         1000       
   Water     60.3            360          1000       
   Soil      11              720          1000       
   Sediment  18.9            3.24e+003    0          
     Persistence Time: 120 hr