CAS Number: 71186-24-8
SMILES : CC=CC=C1C(=CCCC1(C)C)C
CHEM   : 
MOL FOR: C13 H20 
MOL WT : 176.30
------------------------------ 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) =  5.97
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  232.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  17.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.107  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  14.3  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.133
       log Kow used: 5.97 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.078 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.12E-001  atm-m3/mole  (6.20E+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:  1.866E-001 atm-m3/mole  (1.891E+004 Pa-m3/mole)
      VP:   0.107 mm Hg (source: MPBPVP)
      WS:   0.133 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.97  (KowWin est)
  Log Kaw used:  1.398  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.572
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5881
   Biowin2 (Non-Linear Model)     :   0.6515
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8958  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7090  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3211
   Biowin6 (MITI Non-Linear Model):   0.1824
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6683
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.9277
     BioHC Half-Life (days)     :   8.4672
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  13.5 Pa (0.101 mm Hg)
  Log Koa (Koawin est  ): 4.572
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.23E-007 
       Octanol/air (Koa) model:  9.16E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.05E-006 
       Mackay model           :  1.78E-005 
       Octanol/air (Koa) model:  7.33E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 238.5334 E-12 cm3/molecule-sec
      Half-Life =     0.045 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.538 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    12.658750 E-17 cm3/molecule-sec
      Half-Life =     0.091 Days (at 7E11 mol/cm3)
      Half-Life =      2.173 Hrs
   Fraction sorbed to airborne particulates (phi):
      1.29E-005 (Junge-Pankow, Mackay avg)
      7.33E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5854  L/kg (MCI method)
      Log Koc:  3.767       (MCI method)
      Koc    :  1.517E+005  L/kg (Kow method)
      Log Koc:  5.181       (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 = 3.606 (BCF = 4034 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1495 days (HL = 14.11 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.607 (BCF = 4048)
   Log BAF Arnot-Gobas method (upper trophic) = 4.454 (BAF = 2.848e+004)
       log Kow used: 5.97 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.612 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.356  hours
    Half-Life from Model Lake :      126.1  hours   (5.255 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.36  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    60.94  percent
    Total to Air:               38.20  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.886           0.72         1000       
   Water     67.6            360          1000       
   Soil      19.9            720          1000       
   Sediment  11.5            3.24e+003    0          
     Persistence Time: 92.4 hr