CAS Number: 8008-98-8
SMILES : O(C(CCC1C2)(C2)C)C1(C)C
CHEM   : Oils, cajuput
MOL FOR: C10 H18 O1 
MOL WT : 154.25
------------------------------ 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) =  3.13
    Log Kow (Exper. database match) =  2.74
       Exper. Ref:  GRIFFIN,S ET AL. (1999)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  174.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  8.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.56  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  208  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  1.5 deg C
    BP  (exp database):  176.4 deg C
    VP  (exp database):  1.90E+00 mm Hg (2.53E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  332.1
       log Kow used: 2.74 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3500 mg/L (21 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  551.66 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.04E-004  atm-m3/mole  (2.06E+001 Pa-m3/mole)
   Group Method:   1.31E-004  atm-m3/mole  (1.33E+001 Pa-m3/mole)
   Exper Database: 1.10E-04  atm-m3/mole  (1.11E+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:  9.534E-004 atm-m3/mole  (9.660E+001 Pa-m3/mole)
      VP:   1.56 mm Hg (source: MPBPVP)
      WS:   332 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.74  (exp database)
  Log Kaw used:  -2.347  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.087
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0411
   Biowin2 (Non-Linear Model)     :   0.0023
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4254  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3086  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4825
   Biowin6 (MITI Non-Linear Model):   0.4105
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.7689
 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):  253 Pa (1.9 mm Hg)
  Log Koa (Koawin est  ): 5.087
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.18E-008 
       Octanol/air (Koa) model:  3E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.28E-007 
       Mackay model           :  9.47E-007 
       Octanol/air (Koa) model:  2.4E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.5684 E-12 cm3/molecule-sec
      Half-Life =     0.474 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.687 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.88E-007 (Junge-Pankow, Mackay avg)
      2.4E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  221.2  L/kg (MCI method)
      Log Koc:  2.345       (MCI method)
      Koc    :  223.9  L/kg (Kow method)
      Log Koc:  2.350       (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 = 1.475 (BCF = 29.84 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0700 days (HL = 1.175 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.720 (BCF = 52.45)
   Log BAF Arnot-Gobas method (upper trophic) = 1.720 (BAF = 52.45)
       log Kow used: 2.74 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.00011 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      7.878  hours
    Half-Life from Model Lake :      190.1  hours   (7.92 days)
 
 Removal In Wastewater Treatment:
    Total removal:               9.05  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.76  percent
    Total to Air:                5.19  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.55            23.1         1000       
   Water     17.9            900          1000       
   Soil      80.3            1.8e+003     1000       
   Sediment  0.23            8.1e+003     0          
     Persistence Time: 802 hr