CAS Number: 3466-15-7
SMILES : CC1C23C(C(CC2=C(C(=C)C3)C)CC1)(C)C
CHEM   : 
MOL FOR: C16 H24 
MOL WT : 216.37
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  6.28
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  261.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  61.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0113  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.5  (Modified Grain method)
    Subcooled liquid VP: 0.0244 mm Hg (25 deg C, Mod-Grain method)
                       : 3.26 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.04497
       log Kow used: 6.28 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.15544 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.89E-001  atm-m3/mole  (3.94E+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:  7.154E-002 atm-m3/mole  (7.249E+003 Pa-m3/mole)
      VP:   0.0113 mm Hg (source: MPBPVP)
      WS:   0.045 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.28  (KowWin est)
  Log Kaw used:  1.201  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.079
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2767
   Biowin2 (Non-Linear Model)     :   0.0290
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2968  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2287  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3215
   Biowin6 (MITI Non-Linear Model):   0.1090
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.6989
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   3.4570
     BioHC Half-Life (days)     : 2864.3831
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.25 Pa (0.0244 mm Hg)
  Log Koa (Koawin est  ): 5.079
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.22E-007 
       Octanol/air (Koa) model:  2.94E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.33E-005 
       Mackay model           :  7.38E-005 
       Octanol/air (Koa) model:  2.36E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 270.1799 E-12 cm3/molecule-sec
      Half-Life =     0.040 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    28.504 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =   222.446243 E-17 cm3/molecule-sec
      Half-Life =     0.005 Days (at 7E11 mol/cm3)
      Half-Life =      7.419 Min
   Fraction sorbed to airborne particulates (phi):
      5.35E-005 (Junge-Pankow, Mackay avg)
      2.36E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.9E+004  L/kg (MCI method)
      Log Koc:  4.462       (MCI method)
      Koc    :  2.818E+005  L/kg (Kow method)
      Log Koc:  5.450       (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 = 3.813 (BCF = 6499 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.4784 days (HL = 30.09 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.800 (BCF = 6311)
   Log BAF Arnot-Gobas method (upper trophic) = 5.355 (BAF = 2.263e+005)
       log Kow used: 6.28 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.389 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.503  hours
    Half-Life from Model Lake :      139.7  hours   (5.822 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.52  percent
    Total biodegradation:        0.30  percent
    Total sludge adsorption:    66.17  percent
    Total to Air:               32.04  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0381          0.109        1000       
   Water     24.6            900          1000       
   Soil      38.2            1.8e+003     1000       
   Sediment  37.2            8.1e+003     0          
     Persistence Time: 329 hr