CAS Num: 040785-62-4
SMILES : O1CC(CCCCCCCCCC2)=C2C1
CHEM   : Cyclododeca[c]furan, 1,3,3a,4,5,6,7,8,9,10,11,13a-dodecahydro-
MOL FOR: C14 H24 O1 
MOL WT : 208.35
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  5.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  292.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  48.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00324  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.432  (Modified Grain method)
    Subcooled liquid VP: 0.00529 mm Hg (25 deg C, Mod-Grain method)
                       : 0.705 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.202
       log Kow used: 5.29 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  139.11 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.15E-003  atm-m3/mole  (6.24E+002 Pa-m3/mole)
   Group Method:   8.29E-004  atm-m3/mole  (8.40E+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:  7.390E-004 atm-m3/mole  (7.488E+001 Pa-m3/mole)
      VP:   0.00324 mm Hg (source: MPBPVP)
      WS:   1.2 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.29  (KowWin est)
  Log Kaw used:  -0.600  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.890
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3010
   Biowin2 (Non-Linear Model)     :   0.0330
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7301  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5374  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3305
   Biowin6 (MITI Non-Linear Model):   0.3191
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8613
 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):  0.705 Pa (0.00529 mm Hg)
  Log Koa (Koawin est  ): 5.890
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.25E-006 
       Octanol/air (Koa) model:  1.91E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000154 
       Mackay model           :  0.00034 
       Octanol/air (Koa) model:  1.52E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 130.8947 E-12 cm3/molecule-sec
      Half-Life =     0.082 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.981 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   120.000000 E-17 cm3/molecule-sec
      Half-Life =     0.010 Days (at 7E11 mol/cm3)
      Half-Life =     13.752 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000247 (Junge-Pankow, Mackay avg)
      1.52E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4173  L/kg (MCI method)
      Log Koc:  3.620       (MCI method)
      Koc    :  5762  L/kg (Kow method)
      Log Koc:  3.761       (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 = 3.158 (BCF = 1438 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.3341 days (HL = 21.58 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.711 (BCF = 5137)
   Log BAF Arnot-Gobas method (upper trophic) = 4.242 (BAF = 1.746e+004)
       log Kow used: 5.29 (estimated)

 Volatilization from Water:
    Henry LC:  0.000829 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.492  hours
    Half-Life from Model Lake :      148.2  hours   (6.176 days)

 Removal In Wastewater Treatment:
    Total removal:              85.97  percent
    Total biodegradation:        0.69  percent
    Total sludge adsorption:    82.17  percent
    Total to Air:                3.11  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0174          0.205        1000       
   Water     10.1            900          1000       
   Soil      87.5            1.8e+003     1000       
   Sediment  2.39            8.1e+003     0          
     Persistence Time: 903 hr