CAS Num: 000502-47-6
SMILES : O=C(O)CC(CCC=C(C)C)C
CHEM   : 6-Octenoic acid, 3,7-dimethyl-
MOL FOR: C10 H18 O2 
MOL WT : 170.25
------------------------------ 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) =  3.78

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  269.55  (Adapted Stein & Brown method)
    Melting Pt (deg C):  49.80  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.041  (Modified Grain method)
    VP (Pa, 25 deg C) :  5.46  (Modified Grain method)
    MP  (exp database):  257 deg C
    BP  (exp database):  121-122 deg C
    Subcooled liquid VP: 14 mm Hg (25 deg C, Mod-Grain method)
                       : 1.86E+003 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  89.48
       log Kow used: 3.78 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  673.75 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 :   5.49E-006  atm-m3/mole  (5.56E-001 Pa-m3/mole)
   Group Method:   1.28E-006  atm-m3/mole  (1.30E-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:  1.026E-004 atm-m3/mole  (1.040E+001 Pa-m3/mole)
      VP:   0.041 mm Hg (source: MPBPVP)
      WS:   89.5 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.78  (KowWin est)
  Log Kaw used:  -3.649  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.429
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7392
   Biowin2 (Non-Linear Model)     :   0.7746
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1875  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9877  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4918
   Biowin6 (MITI Non-Linear Model):   0.5052
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6227
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.87E+003 Pa (14 mm Hg)
  Log Koa (Koawin est  ): 7.429
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.61E-009 
       Octanol/air (Koa) model:  6.59E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.8E-008 
       Mackay model           :  1.29E-007 
       Octanol/air (Koa) model:  0.000527 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  94.2178 E-12 cm3/molecule-sec
      Half-Life =     0.114 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.362 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      9.33E-008 (Junge-Pankow, Mackay avg)
      0.000527 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  71.18  L/kg (MCI method)
      Log Koc:  1.852       (MCI method)
      Koc    :  176.4  L/kg (Kow method)
      Log Koc:  2.247       (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) = 0.2849 days (HL = 1.927 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.553 (BCF = 357.2)
   Log BAF Arnot-Gobas method (upper trophic) = 2.553 (BAF = 357.6)
       log Kow used: 3.78 (estimated)

 Volatilization from Water:
    Henry LC:  1.28E-006 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      598.2  hours   (24.92 days)
    Half-Life from Model Lake :       6635  hours   (276.4 days)

 Removal In Wastewater Treatment:
    Total removal:              21.17  percent
    Total biodegradation:        0.25  percent
    Total sludge adsorption:    20.86  percent
    Total to Air:                0.06  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0595          0.518        1000       
   Water     29.6            360          1000       
   Soil      70.2            720          1000       
   Sediment  0.14            3.24e+003    0          
     Persistence Time: 427 hr