CAS Number: 114791-16-1
SMILES : CC1CCC(C2C1=CC(C(=C2)C)O)C(C)C
CHEM   : 3,8-dimethyl-5-propan-2-yl-2,4a,5,6,7,8-hexahydronaphthalen-2-ol
MOL FOR: C15 H24 O1 
MOL WT : 220.36
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  4.65
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  307.86  (Adapted Stein & Brown method)
    Melting Pt (deg C):  68.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.16E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00421  (Modified Grain method)
    Subcooled liquid VP: 8.14E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0109 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  11.88
       log Kow used: 4.65 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13.99 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.98E-005  atm-m3/mole  (3.02E+000 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:  7.712E-007 atm-m3/mole  (7.815E-002 Pa-m3/mole)
      VP:   3.16E-005 mm Hg (source: MPBPVP)
      WS:   11.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.65  (KowWin est)
  Log Kaw used:  -2.914  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.564
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8014
   Biowin2 (Non-Linear Model)     :   0.7306
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8722  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6593  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2703
   Biowin6 (MITI Non-Linear Model):   0.0551
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2554
 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):  0.0109 Pa (8.14E-005 mm Hg)
  Log Koa (Koawin est  ): 7.564
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000276 
       Octanol/air (Koa) model:  8.99E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00989 
       Mackay model           :  0.0216 
       Octanol/air (Koa) model:  0.000719 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 194.9626 E-12 cm3/molecule-sec
      Half-Life =     0.055 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.658 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    86.000000 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     19.189 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.0158 (Junge-Pankow, Mackay avg)
      0.000719 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1560  L/kg (MCI method)
      Log Koc:  3.193       (MCI method)
      Koc    :  1218  L/kg (Kow method)
      Log Koc:  3.086       (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 = 2.734 (BCF = 542.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1426 days (HL = 13.89 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.384 (BCF = 2422)
   Log BAF Arnot-Gobas method (upper trophic) = 3.494 (BAF = 3120)
       log Kow used: 4.65 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.98E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      30.68  hours   (1.278 days)
    Half-Life from Model Lake :      459.2  hours   (19.13 days)
 
 Removal In Wastewater Treatment:
    Total removal:              63.93  percent
    Total biodegradation:        0.57  percent
    Total sludge adsorption:    62.82  percent
    Total to Air:                0.53  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0297          0.257        1000       
   Water     23.1            360          1000       
   Soil      75.6            720          1000       
   Sediment  1.21            3.24e+003    0          
     Persistence Time: 453 hr