CAS Number: 505-90-8
SMILES : CCCCCC=CCCC(=O)O
CHEM   : (Z)-dec-4-enoic acid
MOL FOR: C10 H18 O2 
MOL WT : 170.25
------------------------------ 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) =  3.80
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  283.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  68.38  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00181  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.242  (Modified Grain method)
    Subcooled liquid VP: 0.00464 mm Hg (25 deg C, Mod-Grain method)
                       : 0.618 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  86.48
       log Kow used: 3.80 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  244.63 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.65E-006  atm-m3/mole  (4.71E-001 Pa-m3/mole)
   Group Method:   1.23E-006  atm-m3/mole  (1.24E-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:  4.689E-006 atm-m3/mole  (4.751E-001 Pa-m3/mole)
      VP:   0.00181 mm Hg (source: MPBPVP)
      WS:   86.5 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.80  (KowWin est)
  Log Kaw used:  -3.721  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.521
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8476
   Biowin2 (Non-Linear Model)     :   0.9560
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4859  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2567  (hours-days  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6961
   Biowin6 (MITI Non-Linear Model):   0.8020
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6344
 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):  0.619 Pa (0.00464 mm Hg)
  Log Koa (Koawin est  ): 7.521
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.85E-006 
       Octanol/air (Koa) model:  8.15E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000175 
       Mackay model           :  0.000388 
       Octanol/air (Koa) model:  0.000651 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  64.2215 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  71.8214 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.999 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.787 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000281 (Junge-Pankow, Mackay avg)
      0.000651 (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    :  181  L/kg (Kow method)
      Log Koc:  2.258       (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 v3.00):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.1968 days (HL = 1.573 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.521 (BCF = 331.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.521 (BAF = 331.9)
       log Kow used: 3.80 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.23E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      622.4  hours   (25.93 days)
    Half-Life from Model Lake :       6899  hours   (287.5 days)
 
 Removal In Wastewater Treatment:
    Total removal:              21.88  percent
    Total biodegradation:        0.25  percent
    Total sludge adsorption:    21.57  percent
    Total to Air:                0.05  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.244           1.38         1000       
   Water     30              208          1000       
   Soil      69.6            416          1000       
   Sediment  0.148           1.87e+003    0          
     Persistence Time: 270 hr