CAS Number: 53585-13-0
SMILES : CC1=CCC(=C(C)CCC=C(C)C)CC1
CHEM   : 
MOL FOR: C15 H24 
MOL WT : 204.36
------------------------------ 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) =  7.18
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  271.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  16.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0143  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.91  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.008994
       log Kow used: 7.18 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.048 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.27E+000  atm-m3/mole  (2.30E+005 Pa-m3/mole)
   Group Method:   9.52E-002  atm-m3/mole  (9.64E+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:  4.275E-001 atm-m3/mole  (4.332E+004 Pa-m3/mole)
      VP:   0.0143 mm Hg (source: MPBPVP)
      WS:   0.00899 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.18  (KowWin est)
  Log Kaw used:  1.968  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.212
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6503
   Biowin2 (Non-Linear Model)     :   0.5267
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7476  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5529  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2762
   Biowin6 (MITI Non-Linear Model):   0.1583
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0627
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4881
     BioHC Half-Life (days)     :   3.0766
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.96 Pa (0.0147 mm Hg)
  Log Koa (Koawin est  ): 5.212
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.53E-006 
       Octanol/air (Koa) model:  4E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.53E-005 
       Mackay model           :  0.000122 
       Octanol/air (Koa) model:  3.2E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 289.8733 E-12 cm3/molecule-sec
      Half-Life =     0.037 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    26.567 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   206.000000 E-17 cm3/molecule-sec
      Half-Life =     0.006 Days (at 7E11 mol/cm3)
      Half-Life =      8.011 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      8.89E-005 (Junge-Pankow, Mackay avg)
      3.2E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.981E+004  L/kg (MCI method)
      Log Koc:  4.297       (MCI method)
      Koc    :  1.703E+006  L/kg (Kow method)
      Log Koc:  6.231       (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 = 4.038 (BCF = 1.092e+004 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.6594 days (HL = 45.65 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.496 (BCF = 3132)
   Log BAF Arnot-Gobas method (upper trophic) = 6.017 (BAF = 1.04e+006)
       log Kow used: 7.18 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.0952 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.468  hours
    Half-Life from Model Lake :      135.9  hours   (5.662 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.55  percent
    Total biodegradation:        0.72  percent
    Total sludge adsorption:    89.65  percent
    Total to Air:                4.18  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0262          0.116        1000       
   Water     23              900          1000       
   Soil      61.9            1.8e+003     1000       
   Sediment  15.1            8.1e+003     0          
     Persistence Time: 449 hr