CAS Number: 77131-17-0
SMILES : C=CCCCCOC(=O)CCCC=C
CHEM   : hex-5-en-1-yl hex-5-enoate
MOL FOR: C12 H20 O2 
MOL WT : 196.29
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  4.52
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  245.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  10.05  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0354  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.72  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.304
       log Kow used: 4.52 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.6965 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.25E-003  atm-m3/mole  (1.26E+002 Pa-m3/mole)
   Group Method:   2.50E-004  atm-m3/mole  (2.54E+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:  1.450E-003 atm-m3/mole  (1.470E+002 Pa-m3/mole)
      VP:   0.0354 mm Hg (source: MPBPVP)
      WS:   6.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.52  (KowWin est)
  Log Kaw used:  -1.292  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.812
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8283
   Biowin2 (Non-Linear Model)     :   0.9866
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9056  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7935  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8550
   Biowin6 (MITI Non-Linear Model):   0.9229
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7487
 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):  4.56 Pa (0.0342 mm Hg)
  Log Koa (Koawin est  ): 5.812
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.58E-007 
       Octanol/air (Koa) model:  1.59E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.38E-005 
       Mackay model           :  5.26E-005 
       Octanol/air (Koa) model:  1.27E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  61.3310 E-12 cm3/molecule-sec
      Half-Life =     0.174 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.093 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     2.400000 E-17 cm3/molecule-sec
      Half-Life =     0.477 Days (at 7E11 mol/cm3)
      Half-Life =     11.460 Hrs
   Fraction sorbed to airborne particulates (phi):
      3.82E-005 (Junge-Pankow, Mackay avg)
      1.27E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  711  L/kg (MCI method)
      Log Koc:  2.852       (MCI method)
      Koc    :  2289  L/kg (Kow method)
      Log Koc:  3.360       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.077E-002  L/mol-sec
  Kb Half-Life at pH 8:       2.040  years  
  Kb Half-Life at pH 7:      20.398  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.275 (BCF = 18.84 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6493 days (HL = 0.2242 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.969 (BCF = 93.14)
   Log BAF Arnot-Gobas method (upper trophic) = 1.969 (BAF = 93.15)
       log Kow used: 4.52 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00025 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      4.711  hours
    Half-Life from Model Lake :      168.9  hours   (7.036 days)
 
 Removal In Wastewater Treatment:
    Total removal:              59.88  percent
    Total biodegradation:        0.50  percent
    Total sludge adsorption:    55.00  percent
    Total to Air:                4.38  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.474           3.07         1000       
   Water     19.9            360          1000       
   Soil      79.1            720          1000       
   Sediment  0.524           3.24e+003    0          
     Persistence Time: 406 hr