CAS Num: 073019-15-5
SMILES : CCCCCCC(=O)OCC=C(CCC=C(C)C)C
CHEM   : Heptanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
MOL FOR: C17 H30 O2 
MOL WT : 266.43
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  6.93

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  325.41  (Adapted Stein & Brown method)
    Melting Pt (deg C):  23.09  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000501  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0668  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.02307
       log Kow used: 6.93 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.16252 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
       Vinyl/Allyl Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.98E-003  atm-m3/mole  (1.01E+003 Pa-m3/mole)
   Group Method:   2.03E-003  atm-m3/mole  (2.06E+002 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:  7.613E-003 atm-m3/mole  (7.714E+002 Pa-m3/mole)
      VP:   0.000501 mm Hg (source: MPBPVP)
      WS:   0.0231 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.93  (KowWin est)
  Log Kaw used:  -0.389  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.319
      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)    :   0.6726
   Biowin6 (MITI Non-Linear Model):   0.7008
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4328
 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):  0.0668 Pa (0.000501 mm Hg)
  Log Koa (Koawin est  ): 7.319
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.49E-005 
       Octanol/air (Koa) model:  5.12E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00162 
       Mackay model           :  0.00358 
       Octanol/air (Koa) model:  0.000409 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 183.9114 E-12 cm3/molecule-sec
      Half-Life =     0.058 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.698 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    86.000000 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     19.189 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.0026 (Junge-Pankow, Mackay avg)
      0.000409 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.058E+004  L/kg (MCI method)
      Log Koc:  4.025       (MCI method)
      Koc    :  4.928E+004  L/kg (Kow method)
      Log Koc:  4.693       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.798E-001  L/mol-sec
  Kb Half-Life at pH 8:      44.625  days   
  Kb Half-Life at pH 7:       1.222  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 2.866 (BCF = 734 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5551 days (HL = 3.59 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.717 (BCF = 521.2)
   Log BAF Arnot-Gobas method (upper trophic) = 3.447 (BAF = 2799)
       log Kow used: 6.93 (estimated)

 Volatilization from Water:
    Henry LC:  0.00203 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.136  hours
    Half-Life from Model Lake :      160.2  hours   (6.674 days)

 Removal In Wastewater Treatment:
    Total removal:              93.84  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.88  percent
    Total to Air:                0.19  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0404          0.26         1000       
   Water     17.4            360          1000       
   Soil      78.7            720          1000       
   Sediment  3.85            3.24e+003    0          
     Persistence Time: 425 hr