CAS Number: 504-96-1
SMILES : C=C(C=C)CCCC(CCCC(CCCC(C)C)C)C
CHEM   : NEOPHYTADIENE
MOL FOR: C20 H38 
MOL WT : 278.53
------------------------------ 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) =  9.73
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  304.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00292  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.389  (Modified Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.344e-005
       log Kow used: 9.73 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00020105 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   8.56E+000  atm-m3/mole  (8.67E+005 Pa-m3/mole)
   Group Method:   2.28E+001  atm-m3/mole  (2.31E+006 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:  4.565E+001 atm-m3/mole  (4.626E+006 Pa-m3/mole)
      VP:   0.00292 mm Hg (source: MPBPVP)
      WS:   2.34E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.73  (KowWin est)
  Log Kaw used:  2.544  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.186
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6149
   Biowin2 (Non-Linear Model)     :   0.2796
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5837  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4459  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2088
   Biowin6 (MITI Non-Linear Model):   0.1508
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1135
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.5396
     BioHC Half-Life (days)     :  34.6426
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.389 Pa (0.00292 mm Hg)
  Log Koa (Koawin est  ): 7.186
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.71E-006 
       Octanol/air (Koa) model:  3.77E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000278 
       Mackay model           :  0.000616 
       Octanol/air (Koa) model:  0.000301 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 126.3786 E-12 cm3/molecule-sec
      Half-Life =     0.085 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.016 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.400000 E-17 cm3/molecule-sec
      Half-Life =     0.819 Days (at 7E11 mol/cm3)
      Half-Life =     19.646 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000447 (Junge-Pankow, Mackay avg)
      0.000301 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.364E+005  L/kg (MCI method)
      Log Koc:  5.527       (MCI method)
      Koc    :  2.781E+008  L/kg (Kow method)
      Log Koc:  8.444       (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 = 2.192 (BCF = 155.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.8566 days (HL = 71.89 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.376 (BCF = 23.77)
   Log BAF Arnot-Gobas method (upper trophic) = 4.620 (BAF = 4.172e+004)
       log Kow used: 9.73 (estimated)
 
 Volatilization from Water:
    Henry LC:  22.8 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.703  hours
    Half-Life from Model Lake :      158.5  hours   (6.605 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.47  percent
    Total biodegradation:        0.73  percent
    Total sludge adsorption:    90.82  percent
    Total to Air:                2.92  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.737           1.84         1000       
   Water     80.8            900          1000       
   Soil      12.4            1.8e+003     1000       
   Sediment  6.01            8.1e+003     0          
     Persistence Time: 231 hr