CAS Number: 68917-34-0
SMILES : C=C2C(C)(C)C3CCC1(C3)C(COC(=O)(C))CCC12
CHEM   : Oils, vetiver, acetylated
MOL FOR: C17 H26 O2 
MOL WT : 262.40
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  5.36
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  308.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  87.33  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000317  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0422  (Modified Grain method)
    Subcooled liquid VP: 0.00126 mm Hg (25 deg C, Mod-Grain method)
                       : 0.168 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.5315
       log Kow used: 5.36 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.32001 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.98E-004  atm-m3/mole  (7.07E+001 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:  2.059E-004 atm-m3/mole  (2.087E+001 Pa-m3/mole)
      VP:   0.000317 mm Hg (source: MPBPVP)
      WS:   0.531 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.36  (KowWin est)
  Log Kaw used:  -1.545  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.905
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4289
   Biowin2 (Non-Linear Model)     :   0.4790
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3353  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3912  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6095
   Biowin6 (MITI Non-Linear Model):   0.3855
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5020
 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):  0.168 Pa (0.00126 mm Hg)
  Log Koa (Koawin est  ): 6.905
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.79E-005 
       Octanol/air (Koa) model:  1.97E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000645 
       Mackay model           :  0.00143 
       Octanol/air (Koa) model:  0.000158 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  64.6359 E-12 cm3/molecule-sec
      Half-Life =     0.165 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.986 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00104 (Junge-Pankow, Mackay avg)
      0.000158 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8516  L/kg (MCI method)
      Log Koc:  3.930       (MCI method)
      Koc    :  6672  L/kg (Kow method)
      Log Koc:  3.824       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.778E-002  L/mol-sec
  Kb Half-Life at pH 8:     118.354  days   
  Kb Half-Life at pH 7:       3.240  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 3.205 (BCF = 1603 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2046 days (HL = 1.602 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.795 (BCF = 623.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.808 (BAF = 642.6)
       log Kow used: 5.36 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000698 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.012  hours
    Half-Life from Model Lake :      168.7  hours   (7.028 days)
 
 Removal In Wastewater Treatment:
    Total removal:              86.92  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    83.89  percent
    Total to Air:                2.33  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.247           3.41         1000       
   Water     9.49            900          1000       
   Soil      85.6            1.8e+003     1000       
   Sediment  4.63            8.1e+003     0          
     Persistence Time: 972 hr