CAS Number: 182127-79-3
SMILES : CC=C(C)C(=O)OC1C2C(CC3C1(C(C(CC3)OS(=O)C=CC(=O)C)C)C)OC(=O)C2C
CHEM   : 
MOL FOR: C24 H34 O7 S1 
MOL WT : 466.59
------------------------------ 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) =  1.91
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  575.87  (Adapted Stein & Brown method)
    Melting Pt (deg C):  248.04  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.18E-012  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.58E-010  (Modified Grain method)
    Subcooled liquid VP: 3.13E-010 mm Hg (25 deg C, Mod-Grain method)
                       : 4.17E-008 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  27.55
       log Kow used: 1.91 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.62958 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Methacrylates
       Vinyl/Allyl Ketones
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.17E-016  atm-m3/mole  (7.27E-011 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:  2.630E-014 atm-m3/mole  (2.664E-009 Pa-m3/mole)
      VP:   1.18E-012 mm Hg (source: MPBPVP)
      WS:   27.6 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.91  (KowWin est)
  Log Kaw used:  -13.533  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.443
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6967
   Biowin2 (Non-Linear Model)     :   0.9142
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2139  (months      )
   Biowin4 (Primary Survey Model) :   3.4568  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3642
   Biowin6 (MITI Non-Linear Model):   0.0080
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3282
 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):  4.17E-008 Pa (3.13E-010 mm Hg)
  Log Koa (Koawin est  ): 15.443
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  71.9 
       Octanol/air (Koa) model:  681 
   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 = 105.3750 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 112.2150 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.218 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.144 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.630000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     7.866250 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     3.605 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     3.496 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    :  2500  L/kg (MCI method)
      Log Koc:  3.398       (MCI method)
      Koc    :  161.2  L/kg (Kow method)
      Log Koc:  2.207       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  4.874E-004  L/mol-sec
  Kb Half-Life at pH 8:      45.060  years  
  Kb Half-Life at pH 7:     450.601  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.925 (BCF = 8.41 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.3554 days (HL = 0.04412 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.712 (BCF = 5.154)
   Log BAF Arnot-Gobas method (upper trophic) = 0.712 (BAF = 5.154)
       log Kow used: 1.91 (estimated)
 
 Volatilization from Water:
    Henry LC:  7.17E-016 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.764E+012  hours   (7.349E+010 days)
    Half-Life from Model Lake : 1.924E+013  hours   (8.018E+011 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.17  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.08  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       1.61e-005       1.45         1000       
   Water     8.77            1.44e+003    1000       
   Soil      89.7            2.88e+003    1000       
   Sediment  1.55            1.3e+004     0          
     Persistence Time: 2.88e+003 hr