CAS Number: 16423-19-1
SMILES : CC1CCCC2(C1(CCCC2)O)C
CHEM   : (4R,4aR,8aS)-4,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-ol
MOL FOR: C12 H22 O1 
MOL WT : 182.31
------------------------------ 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) =  3.57
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  248.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  47.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00057  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.076  (Modified Grain method)
    BP  (exp database):  270 deg C
    Subcooled liquid VP: 0.000907 mm Hg (25 deg C, Mod-Grain method)
                       : 0.121 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  156.7
       log Kow used: 3.57 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  294.88 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.18E-005  atm-m3/mole  (1.20E+000 Pa-m3/mole)
   Group Method:   3.15E-006  atm-m3/mole  (3.19E-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:  8.726E-007 atm-m3/mole  (8.841E-002 Pa-m3/mole)
      VP:   0.00057 mm Hg (source: MPBPVP)
      WS:   157 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.57  (KowWin est)
  Log Kaw used:  -3.317  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.887
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2929
   Biowin2 (Non-Linear Model)     :   0.0462
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3721  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2778  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4564
   Biowin6 (MITI Non-Linear Model):   0.4075
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7922
 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):  0.121 Pa (0.000907 mm Hg)
  Log Koa (Koawin est  ): 6.887
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.48E-005 
       Octanol/air (Koa) model:  1.89E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000895 
       Mackay model           :  0.00198 
       Octanol/air (Koa) model:  0.000151 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.3859 E-12 cm3/molecule-sec
      Half-Life =     0.478 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.734 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00144 (Junge-Pankow, Mackay avg)
      0.000151 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  284.4  L/kg (MCI method)
      Log Koc:  2.454       (MCI method)
      Koc    :  307.8  L/kg (Kow method)
      Log Koc:  2.488       (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 = 2.019 (BCF = 104.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3185 days (HL = 2.082 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.430 (BCF = 268.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.430 (BAF = 269.1)
       log Kow used: 3.57 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.15E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      252.3  hours   (10.51 days)
    Half-Life from Model Lake :       2866  hours   (119.4 days)
 
 Removal In Wastewater Treatment:
    Total removal:              14.87  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    14.52  percent
    Total to Air:                0.15  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.484           11.5         1000       
   Water     20.2            900          1000       
   Soil      78.9            1.8e+003     1000       
   Sediment  0.326           8.1e+003     0          
     Persistence Time: 996 hr