CAS Number: 
SMILES : CC(=CCCC(=CCCC=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C
CHEM   : 
MOL FOR: C29 H48 
MOL WT : 396.71
------------------------------ 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) =  13.57
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  444.46  (Adapted Stein & Brown method)
    Melting Pt (deg C):  60.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.46E-007  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000113  (Modified Grain method)
    Subcooled liquid VP: 1.8E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00024 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.382e-009
       log Kow used: 13.57 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.1346e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.18E+002  atm-m3/mole  (2.21E+007 Pa-m3/mole)
   Group Method:   1.38E+000  atm-m3/mole  (1.39E+005 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:  1.854E+002 atm-m3/mole  (1.878E+007 Pa-m3/mole)
      VP:   8.46E-007 mm Hg (source: MPBPVP)
      WS:   2.38E-009 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  13.57  (KowWin est)
  Log Kaw used:  3.950  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.620
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5587
   Biowin2 (Non-Linear Model)     :   0.0676
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3225  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2754  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0723
   Biowin6 (MITI Non-Linear Model):   0.0134
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0243
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4291
     BioHC Half-Life (days)     :   2.6863
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00024 Pa (1.8E-006 mm Hg)
  Log Koa (Koawin est  ): 9.620
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0125 
       Octanol/air (Koa) model:  0.00102 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.311 
       Mackay model           :  0.5 
       Octanol/air (Koa) model:  0.0757 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 503.3402 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 510.9402 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   15.300 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   15.072 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   228.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =   235.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     7.238 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     7.022 Min (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.406 (Junge-Pankow, Mackay avg)
      0.0757 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  6.275E+007  L/kg (MCI method)
      Log Koc:  7.798       (MCI method)
      Koc    :  5.984E+011  L/kg (Kow method)
      Log Koc:  11.777      (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 = 0.903 (BCF = 7.991 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 4.2671 days (HL = 1.85e+004 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.038 (BCF = 0.9152)
   Log BAF Arnot-Gobas method (upper trophic) = 2.053 (BAF = 113)
       log Kow used: 13.57 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.38 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.033  hours
    Half-Life from Model Lake :      189.2  hours   (7.883 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00451         0.0976       1000       
   Water     18              900          1000       
   Soil      82              1.8e+003     1000       
   Sediment  0.0363          8.1e+003     0          
     Persistence Time: 1.05e+003 hr