CAS Number: 2733-88-2
SMILES : CCCCCCCCC=CCCCCCCCCCCCCCC(=O)OC
CHEM   : 
MOL FOR: C25 H48 O2 
MOL WT : 380.66
------------------------------ 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) =  10.96
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  422.18  (Adapted Stein & Brown method)
    Melting Pt (deg C):  134.23  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.91E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  2.55E-005  (Modified Grain method)
    Subcooled liquid VP: 2.39E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000318 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.752e-006
       log Kow used: 10.96 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.9651e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.86E-002  atm-m3/mole  (7.96E+003 Pa-m3/mole)
   Group Method:   6.14E-002  atm-m3/mole  (6.23E+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:  5.460E-002 atm-m3/mole  (5.533E+003 Pa-m3/mole)
      VP:   1.91E-007 mm Hg (source: MPBPVP)
      WS:   1.75E-006 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  10.96  (KowWin est)
  Log Kaw used:  0.507  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.453
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8489
   Biowin2 (Non-Linear Model)     :   0.9714
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7965  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7966  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9249
   Biowin6 (MITI Non-Linear Model):   0.9351
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9038
 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):  0.000319 Pa (2.39E-006 mm Hg)
  Log Koa (Koawin est  ): 10.453
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00941 
       Octanol/air (Koa) model:  0.00697 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.254 
       Mackay model           :  0.43 
       Octanol/air (Koa) model:  0.358 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  83.1963 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  90.7962 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.543 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.414 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.342 (Junge-Pankow, Mackay avg)
      0.358 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.739E+006  L/kg (MCI method)
      Log Koc:  6.240       (MCI method)
      Koc    :  8.352E+006  L/kg (Kow method)
      Log Koc:  6.922       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.016E-002  L/mol-sec
  Kb Half-Life at pH 8:     266.000  days   
  Kb Half-Life at pH 7:       7.283  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.586 (BCF = 38.55 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.3012 days (HL = 20.01 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.117 (BCF = 1.308)
   Log BAF Arnot-Gobas method (upper trophic) = 2.268 (BAF = 185.5)
       log Kow used: 10.96 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0614 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2.01  hours
    Half-Life from Model Lake :      185.5  hours   (7.73 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       0.127           1.26         1000       
   Water     24.5            360          1000       
   Soil      75.1            720          1000       
   Sediment  0.276           3.24e+003    0          
     Persistence Time: 465 hr