CAS Number: 56522-15-7
SMILES : CCCCCCCCCCCCCC=C1C(C(=C)OC1(=O))O
CHEM   : 
MOL FOR: C19 H32 O3 
MOL WT : 308.47
------------------------------ 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) =  5.28
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  434.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  157.86  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.88E-010  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.05E-007  (Modified Grain method)
    Subcooled liquid VP: 1.81E-008 mm Hg (25 deg C, Mod-Grain method)
                       : 2.41E-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):  1.091
       log Kow used: 5.28 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.11187 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
       Vinyl/Allyl Alcohols
       Vinyl/Allyl Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.61E-007  atm-m3/mole  (8.72E-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:  2.932E-010 atm-m3/mole  (2.970E-005 Pa-m3/mole)
      VP:   7.88E-010 mm Hg (source: MPBPVP)
      WS:   1.09 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.28  (KowWin est)
  Log Kaw used:  -4.453  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.733
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0420
   Biowin2 (Non-Linear Model)     :   0.9966
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1160  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0302  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9237
   Biowin6 (MITI Non-Linear Model):   0.9003
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8742
 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):  2.41E-006 Pa (1.81E-008 mm Hg)
  Log Koa (Koawin est  ): 9.733
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.24 
       Octanol/air (Koa) model:  0.00133 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.978 
       Mackay model           :  0.99 
       Octanol/air (Koa) model:  0.096 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 102.8960 E-12 cm3/molecule-sec
      Half-Life =     0.104 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.247 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     8.531250 E-17 cm3/molecule-sec
      Half-Life =     0.134 Days (at 7E11 mol/cm3)
      Half-Life =      3.224 Hrs
   Fraction sorbed to airborne particulates (phi):
      0.984 (Junge-Pankow, Mackay avg)
      0.096 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3500  L/kg (MCI method)
      Log Koc:  3.544       (MCI method)
      Koc    :  2337  L/kg (Kow method)
      Log Koc:  3.369       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.779 (BCF = 60.06 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6478 days (HL = 0.225 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.967 (BCF = 92.64)
   Log BAF Arnot-Gobas method (upper trophic) = 1.967 (BAF = 92.69)
       log Kow used: 5.28 (estimated)
 
 Volatilization from Water:
    Henry LC:  8.61E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1196  hours   (49.84 days)
    Half-Life from Model Lake :  1.32E+004  hours   (549.8 days)
 
 Removal In Wastewater Treatment:
    Total removal:              84.80  percent
    Total biodegradation:        0.72  percent
    Total sludge adsorption:    84.07  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       0.129           1.41         1000       
   Water     23.2            360          1000       
   Soil      74.1            720          1000       
   Sediment  2.53            3.24e+003    0          
     Persistence Time: 489 hr