CAS Number: 942591-88-0
SMILES : CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C
         (C)(C)C
CHEM   : 
MOL FOR: C36 H60 O6 
MOL WT : 588.88
------------------------------ EPI SUMMARY (v4.11) --------------------------
    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 v1.68 estimate) =  8.01
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  670.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  292.26  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.53E-020  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.7E-018  (Modified Grain method)
    Subcooled liquid VP: 3.31E-017 mm Hg (25 deg C, Mod-Grain method)
                       : 4.41E-015 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.722e-005
       log Kow used: 8.01 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.9612 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.99E-012  atm-m3/mole  (2.02E-007 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:  1.005E-015 atm-m3/mole  (1.018E-010 Pa-m3/mole)
      VP:   3.53E-020 mm Hg (source: MPBPVP)
      WS:   2.72E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.01  (KowWin est)
  Log Kaw used:  -10.090  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  18.100
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.1444
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8840  (months      )
   Biowin4 (Primary Survey Model) :   3.0361  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1118
   Biowin6 (MITI Non-Linear Model):   0.0003
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.7730
 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):  4.41E-015 Pa (3.31E-017 mm Hg)
  Log Koa (Koawin est  ): 18.100
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.8E+008 
       Octanol/air (Koa) model:  3.09E+005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 252.4801 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 260.0801 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.508 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   29.611 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    20.393749 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    27.393749 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.349 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.004 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.243E+006  L/kg (MCI method)
      Log Koc:  6.511       (MCI method)
      Koc    :  2.247E+004  L/kg (Kow method)
      Log Koc:  4.352       (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 = 3.627 (BCF = 4237 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.6650 days (HL = 46.24 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.834 (BCF = 683)
   Log BAF Arnot-Gobas method (upper trophic) = 5.783 (BAF = 6.063e+005)
       log Kow used: 8.01 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.99E-012 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  7.14E+008  hours   (2.975E+007 days)
    Half-Life from Model Lake : 7.789E+009  hours   (3.245E+008 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.02  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.24  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       0.00678         0.58         1000       
   Water     2.61            1.44e+003    1000       
   Soil      35.6            2.88e+003    1000       
   Sediment  61.8            1.3e+004     0          
     Persistence Time: 3.98e+003 hr