CAS Number: 54977-89-8
SMILES : CCCCCCCCCCCC=CC=CC(=O)OC
CHEM   : 
MOL FOR: C17 H30 O2 
MOL WT : 266.43
------------------------------ 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) =  6.82
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  332.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  50.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000201  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0268  (Modified Grain method)
    Subcooled liquid VP: 0.000344 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0459 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.02877
       log Kow used: 6.82 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.060173 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.11E-003  atm-m3/mole  (3.15E+002 Pa-m3/mole)
   Group Method:   7.56E-004  atm-m3/mole  (7.66E+001 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:  2.449E-003 atm-m3/mole  (2.482E+002 Pa-m3/mole)
      VP:   0.000201 mm Hg (source: MPBPVP)
      WS:   0.0288 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.82  (KowWin est)
  Log Kaw used:  -0.896  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.716
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9033
   Biowin2 (Non-Linear Model)     :   0.9942
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0490  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9614  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7830
   Biowin6 (MITI Non-Linear Model):   0.8492
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4969
 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):  0.0459 Pa (0.000344 mm Hg)
  Log Koa (Koawin est  ): 7.716
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.54E-005 
       Octanol/air (Koa) model:  1.28E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00236 
       Mackay model           :  0.00521 
       Octanol/air (Koa) model:  0.00102 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  63.6869 E-12 cm3/molecule-sec
      Half-Life =     0.168 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.015 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.265000 E-17 cm3/molecule-sec
      Half-Life =     0.218 Days (at 7E11 mol/cm3)
      Half-Life =      5.224 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.00378 (Junge-Pankow, Mackay avg)
      0.00102 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.429E+004  L/kg (MCI method)
      Log Koc:  4.155       (MCI method)
      Koc    :  4.284E+004  L/kg (Kow method)
      Log Koc:  4.632       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  9.354E-003  L/mol-sec
  Kb Half-Life at pH 8:       2.348  years  
  Kb Half-Life at pH 7:      23.480  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 2.792 (BCF = 618.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2764 days (HL = 1.89 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.516 (BCF = 328.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.826 (BAF = 669.7)
       log Kow used: 6.82 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.000756 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2.93  hours
    Half-Life from Model Lake :      168.8  hours   (7.034 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.76  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    92.89  percent
    Total to Air:                0.10  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.316           2.28         1000       
   Water     17.1            360          1000       
   Soil      77.2            720          1000       
   Sediment  5.43            3.24e+003    0          
     Persistence Time: 444 hr