CAS Num: 008050-07-5
SMILES : C12C(C)(C)C(C1)CC=C2C
CHEM   : Olibanum
MOL FOR: C10 H16 
MOL WT : 136.24
------------------------------ 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) =  4.27
    Log Kow (Exper. database match) =  4.83
       Exper. Ref:  LI,J & PERDUE,EM (1995)
    Log Kow (Exper. database match) =  4.48
       Exper. Ref:  GRIFFIN,S ET AL. (1999)
    Log Kow (Exper. database match) =  4.44
       Exper. Ref:  GRIFFIN,S ET AL. (1999)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  157.25  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -13.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.02  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  536  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -62 deg C
    BP  (exp database):  155.5 deg C
    VP  (exp database):  4.75E+00 mm Hg (6.33E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.071
       log Kow used: 4.44 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2.49 mg/L (25 deg C)
        Exper. Ref:  LI,J & PERDUE,EM (1995)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.4834 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.07E-001  atm-m3/mole  (1.08E+004 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 2.94E-01  atm-m3/mole  (2.98E+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:  1.770E-001 atm-m3/mole  (1.794E+004 Pa-m3/mole)
      VP:   4.02 mm Hg (source: MPBPVP)
      WS:   4.07 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.44  (exp database)
  Log Kaw used:  1.080  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.360
      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)    :   0.4462
   Biowin6 (MITI Non-Linear Model):   0.3302
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0285
 Ready Biodegradability Prediction:   NO

 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.6807
     BioHC Half-Life (days)     :  47.9347

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  633 Pa (4.75 mm Hg)
  Log Koa (Koawin est  ): 3.360
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.74E-009 
       Octanol/air (Koa) model:  5.62E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.71E-007 
       Mackay model           :  3.79E-007 
       Octanol/air (Koa) model:  4.5E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  90.7477 E-12 cm3/molecule-sec
      Half-Life =     0.118 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.414 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    43.000000 E-17 cm3/molecule-sec
      Half-Life =     0.027 Days (at 7E11 mol/cm3)
      Half-Life =     38.378 Min
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      2.75E-007 (Junge-Pankow, Mackay avg)
      4.5E-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    :  7130  L/kg (Kow method)
      Log Koc:  3.853       (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 = 2.597 (BCF = 394.9 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.8793 days (HL = 7.573 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.165 (BCF = 1463)
   Log BAF Arnot-Gobas method (upper trophic) = 3.193 (BAF = 1560)
       log Kow used: 4.44 (expkow database)

 Volatilization from Water:
    Henry LC:  0.294 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.193  hours
    Half-Life from Model Lake :      110.9  hours   (4.62 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.34  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:    31.63  percent
    Total to Air:               67.61  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.53            1.94         1000       
   Water     84.6            900          1000       
   Soil      8.11            1.8e+003     1000       
   Sediment  4.79            8.1e+003     0          
     Persistence Time: 92.4 hr