CAS Number: 20972-07-0
SMILES : CC(CCC(C)C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C=Cc5cc(c(cc5)O)OC
         )C)C
CHEM   : 
MOL FOR: C38 H56 O4 
MOL WT : 576.87
------------------------------ 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) =  11.49
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  604.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  261.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.09E-014  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.45E-012  (Modified Grain method)
    Subcooled liquid VP: 4.22E-012 mm Hg (25 deg C, Mod-Grain method)
                       : 5.62E-010 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  3.506e-008
       log Kow used: 11.49 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.7196e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Phenols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.10E-009  atm-m3/mole  (2.13E-004 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:  2.360E-007 atm-m3/mole  (2.391E-002 Pa-m3/mole)
      VP:   1.09E-014 mm Hg (source: MPBPVP)
      WS:   3.51E-008 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.49  (KowWin est)
  Log Kaw used:  -7.066  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  18.556
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5270
   Biowin2 (Non-Linear Model)     :   0.1990
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.6386  (recalcitrant)
   Biowin4 (Primary Survey Model) :   3.0543  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0527
   Biowin6 (MITI Non-Linear Model):   0.0012
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.6741
 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):  5.63E-010 Pa (4.22E-012 mm Hg)
  Log Koa (Koawin est  ): 18.556
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.33E+003 
       Octanol/air (Koa) model:  8.83E+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 = 173.0944 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 175.7544 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    0.742 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.730 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     8.443749 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     9.493750 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     3.257 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     2.897 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   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    :  8.52E+008  L/kg (MCI method)
      Log Koc:  8.930       (MCI method)
      Koc    :  2.74E+007  L/kg (Kow method)
      Log Koc:  7.438       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  5.875E-003  L/mol-sec
  Kb Half-Life at pH 8:       3.738  years  
  Kb Half-Life at pH 7:      37.385  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.924 (BCF = 83.91 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.1697 days (HL = 147.8 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.204 (BCF = 1.6)
   Log BAF Arnot-Gobas method (upper trophic) = 3.313 (BAF = 2056)
       log Kow used: 11.49 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.1E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.696E+005  hours   (2.79E+004 days)
    Half-Life from Model Lake : 7.305E+006  hours   (3.044E+005 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       0.00757         1.02         1000       
   Water     3.89            4.32e+003    1000       
   Soil      70.4            8.64e+003    1000       
   Sediment  25.7            3.89e+004    0          
     Persistence Time: 6.11e+003 hr