CAS Number: 6770-16-7
SMILES : CC1CCCC2(C1CC(CC2)C(C)(C)O)C
CHEM   : 
MOL FOR: C15 H28 O1 
MOL WT : 224.39
------------------------------ 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) =  4.89
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  285.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  69.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000127  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0169  (Modified Grain method)
    Subcooled liquid VP: 0.000333 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0444 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  7.018
       log Kow used: 4.89 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15.527 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.76E-005  atm-m3/mole  (2.80E+000 Pa-m3/mole)
   Group Method:   1.28E-005  atm-m3/mole  (1.30E+000 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:  5.343E-006 atm-m3/mole  (5.414E-001 Pa-m3/mole)
      VP:   0.000127 mm Hg (source: MPBPVP)
      WS:   7.02 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.89  (KowWin est)
  Log Kaw used:  -2.948  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.838
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2729
   Biowin2 (Non-Linear Model)     :   0.0260
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2791  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2171  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3372
   Biowin6 (MITI Non-Linear Model):   0.1145
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7524
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0444 Pa (0.000333 mm Hg)
  Log Koa (Koawin est  ): 7.838
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.76E-005 
       Octanol/air (Koa) model:  1.69E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00243 
       Mackay model           :  0.00538 
       Octanol/air (Koa) model:  0.00135 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.6847 E-12 cm3/molecule-sec
      Half-Life =     0.386 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.636 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00391 (Junge-Pankow, Mackay avg)
      0.00135 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1265  L/kg (MCI method)
      Log Koc:  3.102       (MCI method)
      Koc    :  1654  L/kg (Kow method)
      Log Koc:  3.218       (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 = 2.894 (BCF = 784.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.0374 days (HL = 10.9 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.430 (BCF = 2692)
   Log BAF Arnot-Gobas method (upper trophic) = 3.558 (BAF = 3613)
       log Kow used: 4.89 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.28E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      70.05  hours   (2.919 days)
    Half-Life from Model Lake :      889.8  hours   (37.07 days)
 
 Removal In Wastewater Treatment:
    Total removal:              73.99  percent
    Total biodegradation:        0.65  percent
    Total sludge adsorption:    73.18  percent
    Total to Air:                0.16  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.403           9.27         1000       
   Water     17.3            900          1000       
   Soil      81.1            1.8e+003     1000       
   Sediment  1.22            8.1e+003     0          
     Persistence Time: 1.04e+003 hr