CAS Number: 137592-04-2
SMILES : CCCCCCCCCCCCCCCCCC(=O)OCc1cc(c(c(c1C(=O))O)CC=C(C)CC(=O)C=C(C)C)OC
CHEM   : 
MOL FOR: C37 H58 O6 
MOL WT : 598.87
------------------------------ 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) =  12.92
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  672.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  293.02  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.23E-017  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.97E-015  (Modified Grain method)
    Subcooled liquid VP: 5.01E-014 mm Hg (25 deg C, Mod-Grain method)
                       : 6.67E-012 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5.731e-009
       log Kow used: 12.92 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.9887e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Aldehydes (Mono)
       Esters
       Phenols
       Vinyl/Allyl Ketones
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.89E-011  atm-m3/mole  (8.00E-006 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:  7.191E-009 atm-m3/mole  (7.286E-004 Pa-m3/mole)
      VP:   5.23E-017 mm Hg (source: MPBPVP)
      WS:   5.73E-009 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  12.92  (KowWin est)
  Log Kaw used:  -8.491  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  21.411
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.3389
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2375  (months      )
   Biowin4 (Primary Survey Model) :   3.7044  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8142
   Biowin6 (MITI Non-Linear Model):   0.5982
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3520
 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):  6.68E-012 Pa (5.01E-014 mm Hg)
  Log Koa (Koawin est  ): 21.411
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.49E+005 
       Octanol/air (Koa) model:  6.32E+008 
   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 = 407.9494 E-12 cm3/molecule-sec
      Half-Life =     0.026 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    18.878 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    50.393749 E-17 cm3/molecule-sec
      Half-Life =     0.023 Days (at 7E11 mol/cm3)
      Half-Life =     32.747 Min
   Reaction With Nitrate Radicals May Be Important!
   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    :  3.962E+006  L/kg (MCI method)
      Log Koc:  6.598       (MCI method)
      Koc    :  1.567E+008  L/kg (Kow method)
      Log Koc:  8.195       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.539E-002  L/mol-sec
  Kb Half-Life at pH 8:      84.097  days   
  Kb Half-Life at pH 7:       2.302  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.222 (BCF = 16.68 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8747 days (HL = 7.493 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8948)
   Log BAF Arnot-Gobas method (upper trophic) = 0.025 (BAF = 1.059)
       log Kow used: 12.92 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.89E-011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.816E+007  hours   (7.566E+005 days)
    Half-Life from Model Lake : 1.981E+008  hours   (8.254E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.0085          0.292        1000       
   Water     13.9            1.44e+003    1000       
   Soil      86.1            2.88e+003    1000       
   Sediment  0.0106          1.3e+004     0          
     Persistence Time: 1.63e+003 hr