CAS Number: 62338-07-2
SMILES : C=C(C)C(=CC(C)C)CC
CHEM   : 1,3-HEXADIENE, 3-ETHYL-2,5-DIMETHYL-
MOL FOR: C10 H18 
MOL WT : 138.26
------------------------------ 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) =  4.94
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  144.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -74.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.52  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  869  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.495
       log Kow used: 4.94 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  29.281 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.02E-001  atm-m3/mole  (7.11E+004 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  7.934E-001 atm-m3/mole  (8.039E+004 Pa-m3/mole)
      VP:   6.52 mm Hg (source: MPBPVP)
      WS:   1.5 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.94  (KowWin est)
  Log Kaw used:  1.458  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.482
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6817
   Biowin2 (Non-Linear Model)     :   0.7399
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8936  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6483  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3198
   Biowin6 (MITI Non-Linear Model):   0.2744
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1574
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4397
     BioHC Half-Life (days)     :   2.7524
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  800 Pa (6 mm Hg)
  Log Koa (Koawin est  ): 3.482
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.75E-009 
       Octanol/air (Koa) model:  7.45E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.35E-007 
       Mackay model           :  3E-007 
       Octanol/air (Koa) model:  5.96E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 193.5118 E-12 cm3/molecule-sec
      Half-Life =     0.055 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.663 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   100.000000 E-17 cm3/molecule-sec
      Half-Life =     0.011 Days (at 7E11 mol/cm3)
      Half-Life =     16.502 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      2.18E-007 (Junge-Pankow, Mackay avg)
      5.96E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  965  L/kg (MCI method)
      Log Koc:  2.985       (MCI method)
      Koc    :  1.937E+004  L/kg (Kow method)
      Log Koc:  4.287       (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 = 2.926 (BCF = 844 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7366 days (HL = 5.452 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.238 (BCF = 1732)
   Log BAF Arnot-Gobas method (upper trophic) = 3.286 (BAF = 1933)
       log Kow used: 4.94 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.702 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.201  hours
    Half-Life from Model Lake :      111.7  hours   (4.654 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.75  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:    46.77  percent
    Total to Air:               52.84  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.398           0.228        1000       
   Water     91.5            360          1000       
   Soil      5.01            720          1000       
   Sediment  3.12            3.24e+003    0          
     Persistence Time: 67.3 hr