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CAS Num: 038303-23-0
SMILES : o(c(c(n1)CCCCCCCCC2)C2)c1
CHEM   : Cyclododecoxazole, 4,5,6,7,8,9,10,11,12,13-decahydro-
MOL FOR: C13 H21 N1 O1 
MOL WT : 207.32
------------------------------ 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) =  5.13

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  293.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  72.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000965  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.129  (Modified Grain method)
    Subcooled liquid VP: 0.00269 mm Hg (25 deg C, Mod-Grain method)
                       : 0.359 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.683
       log Kow used: 5.13 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  54.325 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.64E-005  atm-m3/mole  (3.69E+000 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:  1.564E-004 atm-m3/mole  (1.585E+001 Pa-m3/mole)
      VP:   0.000965 mm Hg (source: MPBPVP)
      WS:   1.68 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.13  (KowWin est)
  Log Kaw used:  -2.827  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.957
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7582
   Biowin2 (Non-Linear Model)     :   0.7719
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5913  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4116  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1500
   Biowin6 (MITI Non-Linear Model):   0.1550
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4630
 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):  0.359 Pa (0.00269 mm Hg)
  Log Koa (Koawin est  ): 7.957
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.36E-006 
       Octanol/air (Koa) model:  2.22E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000302 
       Mackay model           :  0.000669 
       Octanol/air (Koa) model:  0.00178 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.1091 E-12 cm3/molecule-sec
      Half-Life =     0.395 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.735 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000485 (Junge-Pankow, Mackay avg)
      0.00178 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.105E+004  L/kg (MCI method)
      Log Koc:  4.492       (MCI method)
      Koc    :  2.831E+004  L/kg (Kow method)
      Log Koc:  4.452       (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 = 3.049 (BCF = 1119 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8738 days (HL = 7.478 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.372 (BCF = 2352)
   Log BAF Arnot-Gobas method (upper trophic) = 3.489 (BAF = 3083)
       log Kow used: 5.13 (estimated)

 Volatilization from Water:
    Henry LC:  3.64E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      24.63  hours   (1.026 days)
    Half-Life from Model Lake :      389.4  hours   (16.23 days)

 Removal In Wastewater Treatment:
    Total removal:              81.52  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    80.55  percent
    Total to Air:                0.27  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.354           9.47         1000       
   Water     11.6            900          1000       
   Soil      67.7            1.8e+003     1000       
   Sediment  20.3            8.1e+003     0          
     Persistence Time: 1.28e+003 hr