CAS Number: 5354-44-9
SMILES : CC12CCCC(C1CCC34C2CCC(C3)C(C4)(C)O)(C)C
CHEM   : 
MOL FOR: C20 H34 O1 
MOL WT : 290.49
------------------------------ 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) =  6.22
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  346.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  127.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.36E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.48E-005  (Modified Grain method)
    Subcooled liquid VP: 6.67E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000889 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.2219
       log Kow used: 6.22 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.14323 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.22E-005  atm-m3/mole  (2.25E+000 Pa-m3/mole)
   Group Method:   1.38E-006  atm-m3/mole  (1.39E-001 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:  1.096E-006 atm-m3/mole  (1.110E-001 Pa-m3/mole)
      VP:   6.36E-007 mm Hg (source: MPBPVP)
      WS:   0.222 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.22  (KowWin est)
  Log Kaw used:  -3.042  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.262
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1265
   Biowin2 (Non-Linear Model)     :   0.0003
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7087  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.8149  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3349
   Biowin6 (MITI Non-Linear Model):   0.0797
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.7809
 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):  0.000889 Pa (6.67E-006 mm Hg)
  Log Koa (Koawin est  ): 9.262
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00337 
       Octanol/air (Koa) model:  0.000449 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.109 
       Mackay model           :  0.213 
       Octanol/air (Koa) model:  0.0347 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  29.1064 E-12 cm3/molecule-sec
      Half-Life =     0.367 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.410 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.161 (Junge-Pankow, Mackay avg)
      0.0347 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.174E+004  L/kg (MCI method)
      Log Koc:  4.337       (MCI method)
      Koc    :  8998  L/kg (Kow method)
      Log Koc:  3.954       (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 = 3.768 (BCF = 5863 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1819 days (HL = 15.2 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.592 (BCF = 3907)
   Log BAF Arnot-Gobas method (upper trophic) = 4.696 (BAF = 4.969e+004)
       log Kow used: 6.22 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.38E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      724.8  hours   (30.2 days)
    Half-Life from Model Lake :       8050  hours   (335.4 days)
 
 Removal In Wastewater Treatment:
    Total removal:              92.90  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.12  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.068           8.82         1000       
   Water     5.11            4.32e+003    1000       
   Soil      82.5            8.64e+003    1000       
   Sediment  12.3            3.89e+004    0          
     Persistence Time: 5.25e+003 hr