CAS Number: 17990-16-8
SMILES : CC(=CCC1C2(CCCC(C2CCC1(C)O)(C)C)C)C=C
CHEM   : (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl
         ]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
MOL FOR: C20 H34 O1 
MOL WT : 290.49
------------------------------ EPI SUMMARY (v4.00) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  7.01
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  347.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  113.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.9E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000105  (Modified Grain method)
    Subcooled liquid VP: 5.96E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000794 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.04616
       log Kow used: 7.01 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.14265 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.18E-005  atm-m3/mole  (7.28E+000 Pa-m3/mole)
   Group Method:   3.08E-006  atm-m3/mole  (3.12E-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:  6.542E-006 atm-m3/mole  (6.628E-001 Pa-m3/mole)
      VP:   7.9E-007 mm Hg (source: MPBPVP)
      WS:   0.0462 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.01  (KowWin est)
  Log Kaw used:  -2.532  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.542
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.0575
   Biowin2 (Non-Linear Model)     :   0.0019
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.9209  (months      )
   Biowin4 (Primary Survey Model) :   2.9683  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2505
   Biowin6 (MITI Non-Linear Model):   0.0431
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.3537
 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):  0.000795 Pa (5.96E-006 mm Hg)
  Log Koa (Koawin est  ): 9.542
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00378 
       Octanol/air (Koa) model:  0.000855 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.12 
       Mackay model           :  0.232 
       Octanol/air (Koa) model:  0.064 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 169.2243 E-12 cm3/molecule-sec
      Half-Life =     0.063 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.758 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    18.000000 E-17 cm3/molecule-sec
      Half-Life =     0.064 Days (at 7E11 mol/cm3)
      Half-Life =      1.528 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.176 (Junge-Pankow, Mackay avg)
      0.064 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.011E+004  L/kg (MCI method)
      Log Koc:  4.303       (MCI method)
      Koc    :  2.461E+004  L/kg (Kow method)
      Log Koc:  4.391       (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 = 4.117 (BCF = 1.309e+004 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.7777 days (HL = 59.94 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.676 (BCF = 4742)
   Log BAF Arnot-Gobas method (upper trophic) = 6.187 (BAF = 1.539e+006)
       log Kow used: 7.01 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.08E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      325.7  hours   (13.57 days)
    Half-Life from Model Lake :       3696  hours   (154 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.85  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.07  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       0.0201          0.761        1000       
   Water     11.7            1.44e+003    1000       
   Soil      76.3            2.88e+003    1000       
   Sediment  12              1.3e+004     0          
     Persistence Time: 1.82e+003 hr