CAS Number: 19902-08-0
SMILES : CC1(C2CCC(=C)C1C2)C
CHEM   : (1R,5R)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptane
MOL FOR: C10 H16 
MOL WT : 136.24
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  4.35
    Log Kow (Exper. database match) =  4.16
       Exper. Ref:  GRIFFIN,S ET AL. (1999)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  150.80  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -15.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.51  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  334  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -61 deg C
    BP  (exp database):  166 deg C
    VP  (exp database):  2.93E+00 mm Hg (3.91E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  7.061
       log Kow used: 4.16 (expkow database)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.6192 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.61E-001  atm-m3/mole  (1.63E+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:  6.372E-002 atm-m3/mole  (6.457E+003 Pa-m3/mole)
      VP:   2.51 mm Hg (source: MPBPVP)
      WS:   7.06 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.16  (exp database)
  Log Kaw used:  0.818  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.342
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4988
   Biowin2 (Non-Linear Model)     :   0.3432
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6860  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4977  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4717
   Biowin6 (MITI Non-Linear Model):   0.3865
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0855
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.8597
     BioHC Half-Life (days)     :  72.3873
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  391 Pa (2.93 mm Hg)
  Log Koa (Koawin est  ): 3.342
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.68E-009 
       Octanol/air (Koa) model:  5.4E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.77E-007 
       Mackay model           :  6.14E-007 
       Octanol/air (Koa) model:  4.32E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  56.5247 E-12 cm3/molecule-sec
      Half-Life =     0.189 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.271 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      4.46E-007 (Junge-Pankow, Mackay avg)
      4.32E-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    :  4074  L/kg (Kow method)
      Log Koc:  3.610       (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 = 2.412 (BCF = 258.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7432 days (HL = 5.536 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.957 (BCF = 905.1)
   Log BAF Arnot-Gobas method (upper trophic) = 2.965 (BAF = 923.2)
       log Kow used: 4.16 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.161 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.195  hours
    Half-Life from Model Lake :      110.9  hours   (4.621 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.69  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:    22.26  percent
    Total to Air:               76.35  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.14            2.61         1000       
   Water     79.2            900          1000       
   Soil      13.2            1.8e+003     1000       
   Sediment  4.48            8.1e+003     0          
     Persistence Time: 98.7 hr