CAS Num: 017334-55-3
SMILES : C12(C)C3C(C)(C)C3CCC2=CCCC1C
CHEM   : CALARENE
MOL FOR: C15 H24 
MOL WT : 204.36
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  6.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  245.05  (Adapted Stein & Brown method)
    Melting Pt (deg C):  47.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0339  (Modified Grain method)
    VP (Pa, 25 deg C) :  4.52  (Modified Grain method)
    Subcooled liquid VP: 0.055 mm Hg (25 deg C, Mod-Grain method)
                       : 7.33 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.07675
       log Kow used: 6.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.042587 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.95E-001  atm-m3/mole  (1.97E+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:  1.188E-001 atm-m3/mole  (1.203E+004 Pa-m3/mole)
      VP:   0.0339 mm Hg (source: MPBPVP)
      WS:   0.0767 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.09  (KowWin est)
  Log Kaw used:  0.902  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.188
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2824
   Biowin2 (Non-Linear Model)     :   0.0342
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3233  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2460  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3635
   Biowin6 (MITI Non-Linear Model):   0.1288
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5859
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   3.8335
     BioHC Half-Life (days)     : 6815.5283

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  7.33 Pa (0.055 mm Hg)
  Log Koa (Koawin est  ): 5.188
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.09E-007 
       Octanol/air (Koa) model:  3.78E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.48E-005 
       Mackay model           :  3.27E-005 
       Octanol/air (Koa) model:  3.03E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  95.7723 E-12 cm3/molecule-sec
      Half-Life =     0.112 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.340 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi):
      2.38E-005 (Junge-Pankow, Mackay avg)
      3.03E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.746E+004  L/kg (MCI method)
      Log Koc:  4.242       (MCI method)
      Koc    :  1.928E+005  L/kg (Kow method)
      Log Koc:  5.285       (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 = 3.682 (BCF = 4807 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.3620 days (HL = 23.01 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.755 (BCF = 5693)
   Log BAF Arnot-Gobas method (upper trophic) = 4.983 (BAF = 9.613e+004)
       log Kow used: 6.09 (estimated)

 Volatilization from Water:
    Henry LC:  0.195 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.463  hours
    Half-Life from Model Lake :      135.8  hours   (5.66 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.04  percent
    Total biodegradation:        0.33  percent
    Total sludge adsorption:    67.32  percent
    Total to Air:               30.40  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.573           1.56         1000       
   Water     26.3            900          1000       
   Soil      48.1            1.8e+003     1000       
   Sediment  25              8.1e+003     0          
     Persistence Time: 304 hr