CAS Number: 144071-55-6
SMILES : CC(C1CCC2C1(CCC3C2COC(=O)C4C3(CCC(C4)O)C)C)C(C(C(C)C(C)C)O)O
CHEM   : 
MOL FOR: C28 H48 O5 
MOL WT : 464.69
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  4.07
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  568.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  244.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.07E-016  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.43E-014  (Modified Grain method)
    Subcooled liquid VP: 9.83E-014 mm Hg (25 deg C, Mod-Grain method)
                       : 1.31E-011 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.4006
       log Kow used: 4.07 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  20.9 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.86E-010  atm-m3/mole  (3.91E-005 Pa-m3/mole)
   Group Method:   6.14E-018  atm-m3/mole  (6.23E-013 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:  6.212E-016 atm-m3/mole  (6.294E-011 Pa-m3/mole)
      VP:   4.07E-016 mm Hg (source: MPBPVP)
      WS:   0.401 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.07  (KowWin est)
  Log Kaw used:  -7.802  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.872
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8088
   Biowin2 (Non-Linear Model)     :   0.5979
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3681  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4877  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2737
   Biowin6 (MITI Non-Linear Model):   0.0198
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.2923
 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):  1.31E-011 Pa (9.83E-014 mm Hg)
  Log Koa (Koawin est  ): 11.872
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.29E+005 
       Octanol/air (Koa) model:  0.183 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.936 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  63.9607 E-12 cm3/molecule-sec
      Half-Life =     0.167 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.007 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      0.936 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5.034E+004  L/kg (MCI method)
      Log Koc:  4.702       (MCI method)
      Koc    :  194  L/kg (Kow method)
      Log Koc:  2.288       (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 v3.01):
   Log BCF from regression-based method = 2.354 (BCF = 225.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7964 days (HL = 0.1598 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.813 (BCF = 64.98)
   Log BAF Arnot-Gobas method (upper trophic) = 1.813 (BAF = 64.98)
       log Kow used: 4.07 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.86E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  3.27E+006  hours   (1.362E+005 days)
    Half-Life from Model Lake : 3.567E+007  hours   (1.486E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:              33.36  percent
    Total biodegradation:        0.35  percent
    Total sludge adsorption:    33.01  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0981          4.01         1000       
   Water     10.3            900          1000       
   Soil      61              1.8e+003     1000       
   Sediment  28.6            8.1e+003     0          
     Persistence Time: 1.6e+003 hr