CAS Number: 460-01-5
SMILES : CC(=C)C=CC=C(C)C=C
CHEM   : (3E,5E)-2,6-dimethylocta-1,3,5,7-tetraene
MOL FOR: C10 H14 
MOL WT : 134.22
------------------------------ 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) =  4.66
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  162.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -65.42  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.89  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  385  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.681
       log Kow used: 4.66 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  38.827 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.05E-001  atm-m3/mole  (3.09E+004 Pa-m3/mole)
   Group Method:   1.02E-002  atm-m3/mole  (1.03E+003 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:  1.904E-001 atm-m3/mole  (1.929E+004 Pa-m3/mole)
      VP:   2.89 mm Hg (source: MPBPVP)
      WS:   2.68 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.66  (KowWin est)
  Log Kaw used:  1.096  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.564
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6836
   Biowin2 (Non-Linear Model)     :   0.7508
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9026  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6541  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3632
   Biowin6 (MITI Non-Linear Model):   0.2531
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0888
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.2429
     BioHC Half-Life (days)     :   1.7494
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  352 Pa (2.64 mm Hg)
  Log Koa (Koawin est  ): 3.564
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.52E-009 
       Octanol/air (Koa) model:  8.99E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.08E-007 
       Mackay model           :  6.82E-007 
       Octanol/air (Koa) model:  7.2E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 241.6720 E-12 cm3/molecule-sec
      Half-Life =     0.044 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.531 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    10.530000 E-17 cm3/molecule-sec
      Half-Life =     0.109 Days (at 7E11 mol/cm3)
      Half-Life =      2.612 Hrs
   Fraction sorbed to airborne particulates (phi):
      4.95E-007 (Junge-Pankow, Mackay avg)
      7.2E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1074  L/kg (MCI method)
      Log Koc:  3.031       (MCI method)
      Koc    :  1.107E+004  L/kg (Kow method)
      Log Koc:  4.044       (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 = 2.743 (BCF = 553.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8326 days (HL = 6.801 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.234 (BCF = 1712)
   Log BAF Arnot-Gobas method (upper trophic) = 3.271 (BAF = 1868)
       log Kow used: 4.66 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0102 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.249  hours
    Half-Life from Model Lake :      110.8  hours   (4.615 days)
 
 Removal In Wastewater Treatment:
    Total removal:              88.04  percent
    Total biodegradation:        0.27  percent
    Total sludge adsorption:    46.88  percent
    Total to Air:               40.89  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.382           0.755        1000       
   Water     31.9            360          1000       
   Soil      66.5            720          1000       
   Sediment  1.2             3.24e+003    0          
     Persistence Time: 195 hr