CAS Number: 68926-75-0
SMILES : O(C1(C(C(C2C3)C2(C)C)(C(CC4)C)C)C3)C14
CHEM   : Cyclopropa[5,6]naphth[1,8a-b]oxirene, decahydro-1,7,7,7b-tetramethyl-
         , [1R-(1a,3a ,4aR*,6aa,7aa,7ba)]-
MOL FOR: C15 H24 O1 
MOL WT : 220.36
------------------------------ EPI SUMMARY (v4.00) --------------------------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Water Solubility (mg/L):   ------
 Physical Property Inputs:
    Vapor Pressure (mm Hg) :   ------
    Melting Point (deg C)  :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.69
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  251.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  60.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0182  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.42  (Modified Grain method)
    Subcooled liquid VP: 0.0392 mm Hg (25 deg C, Mod-Grain method)
                       : 5.22 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.384
       log Kow used: 4.69 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.5845 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Epoxides, mono
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.10E-004  atm-m3/mole  (4.15E+001 Pa-m3/mole)
   Group Method:   3.15E-005  atm-m3/mole  (3.19E+000 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:  1.559E-003 atm-m3/mole  (1.580E+002 Pa-m3/mole)
      VP:   0.0182 mm Hg (source: MPBPVP)
      WS:   3.38 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.69  (KowWin est)
  Log Kaw used:  -1.776  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.466
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.2565
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.0672  (months      )
   Biowin4 (Primary Survey Model) :   3.0598  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3912
   Biowin6 (MITI Non-Linear Model):   0.0962
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.0644
 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):  5.23 Pa (0.0392 mm Hg)
  Log Koa (Koawin est  ): 6.466
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.74E-007 
       Octanol/air (Koa) model:  7.18E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.07E-005 
       Mackay model           :  4.59E-005 
       Octanol/air (Koa) model:  5.74E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.1151 E-12 cm3/molecule-sec
      Half-Life =     1.173 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.081 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.33E-005 (Junge-Pankow, Mackay avg)
      5.74E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4063  L/kg (MCI method)
      Log Koc:  3.609       (MCI method)
      Koc    :  2683  L/kg (Kow method)
      Log Koc:  3.429       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  2.149E-002  L/mol-sec
  Ka Half-Life at pH 7:      10.220  years  
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.762 (BCF = 577.6 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.6995 days (HL = 5.006 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.157 (BCF = 1437)
   Log BAF Arnot-Gobas method (upper trophic) = 3.181 (BAF = 1517)
       log Kow used: 4.69 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00041 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.635  hours
    Half-Life from Model Lake :      164.1  hours   (6.838 days)
 
 Removal In Wastewater Treatment:
    Total removal:              68.40  percent
    Total biodegradation:        0.55  percent
    Total sludge adsorption:    62.71  percent
    Total to Air:                5.13  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.05            28.2         1000       
   Water     7.72            1.44e+003    1000       
   Soil      88.9            2.88e+003    1000       
   Sediment  2.29            1.3e+004     0          
     Persistence Time: 1.44e+003 hr