CAS Number: 68917-43-1
SMILES : Oc(c(ccc1C(C)C)C)c1
CHEM   : Oils, Thujopsis dolabrata
MOL FOR: C10 H14 O1 
MOL WT : 150.22
------------------------------ 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) =  3.52
    Log Kow (Exper. database match) =  3.49
       Exper. Ref:  GRIFFIN,S ET AL. (1999)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  236.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  38.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0232  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.09  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  1 deg C
    BP  (exp database):  237.7 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  301.1
       log Kow used: 3.49 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1250 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  920.37 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Phenols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.20E-006  atm-m3/mole  (1.22E-001 Pa-m3/mole)
   Group Method:   1.62E-006  atm-m3/mole  (1.64E-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:  1.523E-005 atm-m3/mole  (1.543E+000 Pa-m3/mole)
      VP:   0.0232 mm Hg (source: MPBPVP)
      WS:   301 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.49  (exp database)
  Log Kaw used:  -4.309  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.799
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9012
   Biowin2 (Non-Linear Model)     :   0.9497
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7739  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5336  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3866
   Biowin6 (MITI Non-Linear Model):   0.4125
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0182
 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):  2.93 Pa (0.022 mm Hg)
  Log Koa (Koawin est  ): 7.799
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.02E-006 
       Octanol/air (Koa) model:  1.55E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.69E-005 
       Mackay model           :  8.18E-005 
       Octanol/air (Koa) model:  0.00123 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  99.4765 E-12 cm3/molecule-sec
      Half-Life =     0.108 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.290 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      5.94E-005 (Junge-Pankow, Mackay avg)
      0.00123 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1467  L/kg (MCI method)
      Log Koc:  3.167       (MCI method)
      Koc    :  1053  L/kg (Kow method)
      Log Koc:  3.022       (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 = 1.970 (BCF = 93.26 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6548 days (HL = 0.2214 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.861 (BCF = 72.54)
   Log BAF Arnot-Gobas method (upper trophic) = 1.861 (BAF = 72.54)
       log Kow used: 3.49 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.62E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      444.2  hours   (18.51 days)
    Half-Life from Model Lake :       4949  hours   (206.2 days)
 
 Removal In Wastewater Treatment:
    Total removal:              12.88  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    12.62  percent
    Total to Air:                0.08  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.257           2.58         1000       
   Water     24.5            360          1000       
   Soil      74.1            720          1000       
   Sediment  1.21            3.24e+003    0          
     Persistence Time: 466 hr