CAS Number: 286-08-8
SMILES : C(C1CC2)C1CC2
CHEM   : BICYCLO[4.1.0]HEPTANE
MOL FOR: C7 H12 
MOL WT : 96.17
------------------------------ 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) =  3.41
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  106.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -61.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  21.8  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.9E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  116.5 deg C
    VP  (exp database):  2.28E+01 mm Hg (3.04E+003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  42.86
       log Kow used: 3.41 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  10.466 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.49E-001  atm-m3/mole  (1.51E+004 Pa-m3/mole)
   Group Method:   4.55E-002  atm-m3/mole  (4.62E+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:  6.436E-002 atm-m3/mole  (6.521E+003 Pa-m3/mole)
      VP:   21.8 mm Hg (source: MPBPVP)
      WS:   42.9 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.41  (KowWin est)
  Log Kaw used:  0.785  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.625
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7018
   Biowin2 (Non-Linear Model)     :   0.8379
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9866  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7090  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5495
   Biowin6 (MITI Non-Linear Model):   0.6622
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3149
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.5697
     BioHC Half-Life (days)     :  37.1299
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3.04E+003 Pa (22.8 mm Hg)
  Log Koa (Koawin est  ): 2.625
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.87E-010 
       Octanol/air (Koa) model:  1.04E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.56E-008 
       Mackay model           :  7.89E-008 
       Octanol/air (Koa) model:  8.28E-009 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.8249 E-12 cm3/molecule-sec
      Half-Life =     1.836 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    22.035 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.73E-008 (Junge-Pankow, Mackay avg)
      8.28E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  255.2  L/kg (MCI method)
      Log Koc:  2.407       (MCI method)
      Koc    :  910.2  L/kg (Kow method)
      Log Koc:  2.959       (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 = 1.915 (BCF = 82.25 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.4176 days (HL = 2.616 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.337 (BCF = 217.3)
   Log BAF Arnot-Gobas method (upper trophic) = 2.337 (BAF = 217.5)
       log Kow used: 3.41 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.149 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.005  hours
    Half-Life from Model Lake :      93.19  hours   (3.883 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.36  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     5.84  percent
    Total to Air:               92.48  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       32.3            44.1         1000       
   Water     62.7            360          1000       
   Soil      4.23            720          1000       
   Sediment  0.72            3.24e+003    0          
     Persistence Time: 98.1 hr