CAS Number: 72934-06-6
SMILES : CC(C)=CCCC(C)CCOC(=O)CCCCCCCCC
CHEM   : 
MOL FOR: C20 H38 O2 
MOL WT : 310.52
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  8.49
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  354.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  60.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.9E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00654  (Modified Grain method)
    Subcooled liquid VP: 0.000106 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0141 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.000599
       log Kow used: 8.49 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0021381 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.25E-002  atm-m3/mole  (2.28E+003 Pa-m3/mole)
   Group Method:   1.09E-002  atm-m3/mole  (1.11E+003 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  3.342E-002 atm-m3/mole  (3.387E+003 Pa-m3/mole)
      VP:   4.9E-005 mm Hg (source: MPBPVP)
      WS:   0.000599 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.49  (KowWin est)
  Log Kaw used:  -0.036  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.526
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8823
   Biowin2 (Non-Linear Model)     :   0.9893
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9515  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8978  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6822
   Biowin6 (MITI Non-Linear Model):   0.7627
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4444
 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):  0.0141 Pa (0.000106 mm Hg)
  Log Koa (Koawin est  ): 8.526
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000212 
       Octanol/air (Koa) model:  8.24E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00761 
       Mackay model           :  0.0167 
       Octanol/air (Koa) model:  0.00655 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 106.2379 E-12 cm3/molecule-sec
      Half-Life =     0.101 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.208 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.0122 (Junge-Pankow, Mackay avg)
      0.00655 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  6.406E+004  L/kg (MCI method)
      Log Koc:  4.807       (MCI method)
      Koc    :  3.594E+005  L/kg (Kow method)
      Log Koc:  5.556       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  2.417E-002  L/mol-sec
  Kb Half-Life at pH 8:     331.881  days   
  Kb Half-Life at pH 7:       9.086  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.798 (BCF = 627.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7277 days (HL = 5.342 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.534 (BCF = 34.2)
   Log BAF Arnot-Gobas method (upper trophic) = 3.192 (BAF = 1555)
       log Kow used: 8.49 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0109 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.893  hours
    Half-Life from Model Lake :      168.4  hours   (7.017 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.23  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.057           0.506        1000       
   Water     23.6            360          1000       
   Soil      73.7            720          1000       
   Sediment  2.71            3.24e+003    0          
     Persistence Time: 456 hr