CAS Number: 13159-49-4
SMILES : CC=CCCC=CCCC(=O)O
CHEM   : 
MOL FOR: C10 H16 O2 
MOL WT : 168.24
------------------------------ 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) =  3.59
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  288.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  67.24  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00145  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.193  (Modified Grain method)
    Subcooled liquid VP: 0.00361 mm Hg (25 deg C, Mod-Grain method)
                       : 0.481 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  134.9
       log Kow used: 3.59 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  534.77 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.09E-006  atm-m3/mole  (4.14E-001 Pa-m3/mole)
   Group Method:   2.68E-007  atm-m3/mole  (2.72E-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:  2.379E-006 atm-m3/mole  (2.411E-001 Pa-m3/mole)
      VP:   0.00145 mm Hg (source: MPBPVP)
      WS:   135 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.59  (KowWin est)
  Log Kaw used:  -3.777  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.367
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8486
   Biowin2 (Non-Linear Model)     :   0.9572
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4903  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2597  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6156
   Biowin6 (MITI Non-Linear Model):   0.6581
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4354
 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):  0.481 Pa (0.00361 mm Hg)
  Log Koa (Koawin est  ): 7.367
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.23E-006 
       Octanol/air (Koa) model:  5.71E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000225 
       Mackay model           :  0.000498 
       Octanol/air (Koa) model:  0.000457 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 117.7641 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 132.9641 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.090 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    0.965 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    26.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    40.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     1.058 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     0.688 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000362 (Junge-Pankow, Mackay avg)
      0.000457 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  96.13  L/kg (MCI method)
      Log Koc:  1.983       (MCI method)
      Koc    :  138.5  L/kg (Kow method)
      Log Koc:  2.141       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2852 days (HL = 1.928 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.433 (BCF = 270.8)
   Log BAF Arnot-Gobas method (upper trophic) = 2.433 (BAF = 271)
       log Kow used: 3.59 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.68E-007 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:       2835  hours   (118.1 days)
    Half-Life from Model Lake : 3.104E+004  hours   (1293 days)
 
 Removal In Wastewater Treatment:
    Total removal:              15.26  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    15.04  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.125           0.712        1000       
   Water     29.9            208          1000       
   Soil      69.8            416          1000       
   Sediment  0.148           1.87e+003    0          
     Persistence Time: 271 hr