CAS Number: 154171-76-3
SMILES : CC1(CCC2(C3C14CCC(C4)C3(C)C)OCCO2)C
CHEM   : 
MOL FOR: C17 H28 O2 
MOL WT : 264.41
------------------------------ 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) =  5.32
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  304.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  100.54  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000523  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0697  (Modified Grain method)
    Subcooled liquid VP: 0.00284 mm Hg (25 deg C, Mod-Grain method)
                       : 0.379 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.5648
       log Kow used: 5.32 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.0801 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.01E-004  atm-m3/mole  (1.02E+001 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  3.222E-004 atm-m3/mole  (3.264E+001 Pa-m3/mole)
      VP:   0.000523 mm Hg (source: MPBPVP)
      WS:   0.565 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.32  (KowWin est)
  Log Kaw used:  -2.384  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.704
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.8088
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7490  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.8330  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3635
   Biowin6 (MITI Non-Linear Model):   0.0952
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.0948
 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):  0.379 Pa (0.00284 mm Hg)
  Log Koa (Koawin est  ): 7.704
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.92E-006 
       Octanol/air (Koa) model:  1.24E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000286 
       Mackay model           :  0.000633 
       Octanol/air (Koa) model:  0.000992 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.5137 E-12 cm3/molecule-sec
      Half-Life =     0.419 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.031 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00046 (Junge-Pankow, Mackay avg)
      0.000992 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2926  L/kg (MCI method)
      Log Koc:  3.466       (MCI method)
      Koc    :  4859  L/kg (Kow method)
      Log Koc:  3.687       (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 = 3.176 (BCF = 1499 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7213 days (HL = 5.264 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.265 (BCF = 1843)
   Log BAF Arnot-Gobas method (upper trophic) = 3.366 (BAF = 2321)
       log Kow used: 5.32 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000101 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      11.09  hours
    Half-Life from Model Lake :      257.3  hours   (10.72 days)
 
 Removal In Wastewater Treatment:
    Total removal:              85.68  percent
    Total biodegradation:        0.72  percent
    Total sludge adsorption:    84.49  percent
    Total to Air:                0.47  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.157           10.1         1000       
   Water     4.69            4.32e+003    1000       
   Soil      93.8            8.64e+003    1000       
   Sediment  1.34            3.89e+004    0          
     Persistence Time: 3.93e+003 hr