CAS Number: 57568-20-4
SMILES : CCCCCCCCCCC(CCCCCCCC)COC(=O)C(C)O
CHEM   : 
MOL FOR: C23 H46 O3 
MOL WT : 370.62
------------------------------ 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) =  8.58
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  421.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  140.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3E-009  (Modified Grain method)
    VP (Pa, 25 deg C) :  4E-007  (Modified Grain method)
    Subcooled liquid VP: 4.42E-008 mm Hg (25 deg C, Mod-Grain method)
                       : 5.89E-006 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.0007025
       log Kow used: 8.58 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00069977 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.91E-003  atm-m3/mole  (8.01E+002 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:  2.083E-006 atm-m3/mole  (2.110E-001 Pa-m3/mole)
      VP:   3E-009 mm Hg (source: MPBPVP)
      WS:   0.000703 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.58  (KowWin est)
  Log Kaw used:  -0.490  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.070
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1209
   Biowin2 (Non-Linear Model)     :   0.9987
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2770  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2096  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8544
   Biowin6 (MITI Non-Linear Model):   0.9196
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3767
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.89E-006 Pa (4.42E-008 mm Hg)
  Log Koa (Koawin est  ): 9.070
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.509 
       Octanol/air (Koa) model:  0.000288 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.948 
       Mackay model           :  0.976 
       Octanol/air (Koa) model:  0.0226 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  30.2753 E-12 cm3/molecule-sec
      Half-Life =     0.353 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.239 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.962 (Junge-Pankow, Mackay avg)
      0.0226 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.63E+004  L/kg (MCI method)
      Log Koc:  4.560       (MCI method)
      Koc    :  1.563E+005  L/kg (Kow method)
      Log Koc:  5.194       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  6.091E-001  L/mol-sec
  Kb Half-Life at pH 8:      13.170  days   
  Kb Half-Life at pH 7:     131.699  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.752 (BCF = 564.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1607 days (HL = 1.448 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.919 (BCF = 8.291)
   Log BAF Arnot-Gobas method (upper trophic) = 1.578 (BAF = 37.85)
       log Kow used: 8.58 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00791 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.107  hours
    Half-Life from Model Lake :      184.4  hours   (7.684 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.24  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.906           8.48         1000       
   Water     23.8            208          1000       
   Soil      74.5            416          1000       
   Sediment  0.796           1.87e+003    0          
     Persistence Time: 322 hr