CAS Number: 30167-28-3
SMILES : CC(C)C1CCC(C2C1(CC(=C)CC2)O)(C)O
CHEM   : (1S,4S,4aR,8aS)-1-methyl-6-methylidene-4-propan-2-yl-3,4,5,7,8,8a-hex
         ahydro-2H-naphthalene-1,4a-diol
MOL FOR: C15 H26 O2 
MOL WT : 238.37
------------------------------ 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) =  3.75
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  322.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  97.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.11E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000415  (Modified Grain method)
    Subcooled liquid VP: 1.59E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00212 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  17.1
       log Kow used: 3.75 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  423.85 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.89E-007  atm-m3/mole  (9.01E-002 Pa-m3/mole)
   Group Method:   5.23E-011  atm-m3/mole  (5.30E-006 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:  5.704E-008 atm-m3/mole  (5.780E-003 Pa-m3/mole)
      VP:   3.11E-006 mm Hg (source: MPBPVP)
      WS:   17.1 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.75  (KowWin est)
  Log Kaw used:  -4.440  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.190
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2662
   Biowin2 (Non-Linear Model)     :   0.0214
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2482  (months      )
   Biowin4 (Primary Survey Model) :   3.1969  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2247
   Biowin6 (MITI Non-Linear Model):   0.0679
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.9052
 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):  0.00212 Pa (1.59E-005 mm Hg)
  Log Koa (Koawin est  ): 8.190
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00142 
       Octanol/air (Koa) model:  3.8E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0486 
       Mackay model           :  0.102 
       Octanol/air (Koa) model:  0.00303 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 112.4170 E-12 cm3/molecule-sec
      Half-Life =     0.095 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.142 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.0752 (Junge-Pankow, Mackay avg)
      0.00303 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  103.6  L/kg (MCI method)
      Log Koc:  2.015       (MCI method)
      Koc    :  150.1  L/kg (Kow method)
      Log Koc:  2.176       (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 = 2.143 (BCF = 139 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3041 days (HL = 2.014 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.544 (BCF = 349.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.544 (BAF = 350.2)
       log Kow used: 3.75 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.89E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1018  hours   (42.43 days)
    Half-Life from Model Lake : 1.124E+004  hours   (468.3 days)
 
 Removal In Wastewater Treatment:
    Total removal:              20.11  percent
    Total biodegradation:        0.24  percent
    Total sludge adsorption:    19.83  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0809          2.08         1000       
   Water     22.5            1.44e+003    1000       
   Soil      77.2            2.88e+003    1000       
   Sediment  0.162           1.3e+004     0          
     Persistence Time: 1.25e+003 hr