CAS Num: 006876-13-7
SMILES : C(CC1C(C2)C)(C1(C)C)C2
CHEM   : Bicyclo 3.1.1 heptane, 2,6,6-trimethyl-, (1.alpha.,2.beta.,5.alpha.)-
MOL FOR: C10 H18 
MOL WT : 138.26
------------------------------ 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) =  4.35

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  149.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -24.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.19  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  292  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -53 deg C
    BP  (exp database):  169 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.731
       log Kow used: 4.35 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.58799 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.49E-001  atm-m3/mole  (3.54E+004 Pa-m3/mole)
   Group Method:   1.86E-001  atm-m3/mole  (1.88E+004 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:  8.421E-002 atm-m3/mole  (8.533E+003 Pa-m3/mole)
      VP:   2.19 mm Hg (source: MPBPVP)
      WS:   4.73 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.35  (KowWin est)
  Log Kaw used:  1.154  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.196
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4978
   Biowin2 (Non-Linear Model)     :   0.3368
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6815  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4948  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4662
   Biowin6 (MITI Non-Linear Model):   0.3347
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0214
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.8033
     BioHC Half-Life (days)     :  63.5732

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  267 Pa (2 mm Hg)
  Log Koa (Koawin est  ): 3.196
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.12E-008 
       Octanol/air (Koa) model:  3.85E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.06E-007 
       Mackay model           :  9E-007 
       Octanol/air (Koa) model:  3.08E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.6803 E-12 cm3/molecule-sec
      Half-Life =     1.232 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.787 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.53E-007 (Junge-Pankow, Mackay avg)
      3.08E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1020  L/kg (MCI method)
      Log Koc:  3.009       (MCI method)
      Koc    :  5956  L/kg (Kow method)
      Log Koc:  3.775       (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 = 2.540 (BCF = 346.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8577 days (HL = 7.205 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.112 (BCF = 1293)
   Log BAF Arnot-Gobas method (upper trophic) = 3.133 (BAF = 1357)
       log Kow used: 4.35 (estimated)

 Volatilization from Water:
    Henry LC:  0.349 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.202  hours
    Half-Life from Model Lake :      111.7  hours   (4.654 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.43  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:    28.46  percent
    Total to Air:               70.87  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       17.3            19.2         1000       
   Water     72.6            900          1000       
   Soil      5.98            1.8e+003     1000       
   Sediment  4.11            8.1e+003     0          
     Persistence Time: 108 hr