CAS Number: 5208-58-2
SMILES : CC1=CCC2C1C3C2(CCC3C(C)C)C
CHEM   : .alpha.-Bourbonene
MOL FOR: C15 H24 
MOL WT : 204.36
------------------------------ 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) =  5.36
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  242.08  (Adapted Stein & Brown method)
    Melting Pt (deg C):  38.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0478  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.37  (Modified Grain method)
    Subcooled liquid VP: 0.0635 mm Hg (25 deg C, Mod-Grain method)
                       : 8.47 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.3163
       log Kow used: 5.36 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.030229 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.95E-001  atm-m3/mole  (1.97E+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:  4.064E-002 atm-m3/mole  (4.117E+003 Pa-m3/mole)
      VP:   0.0478 mm Hg (source: MPBPVP)
      WS:   0.316 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.36  (KowWin est)
  Log Kaw used:  0.902  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.458
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4663
   Biowin2 (Non-Linear Model)     :   0.1657
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5354  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3995  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2379
   Biowin6 (MITI Non-Linear Model):   0.0586
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2580
 Ready Biodegradability Prediction:   NO
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   2.3606
     BioHC Half-Life (days)     : 229.3878
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  8.47 Pa (0.0635 mm Hg)
  Log Koa (Koawin est  ): 4.458
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.54E-007 
       Octanol/air (Koa) model:  7.05E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.28E-005 
       Mackay model           :  2.83E-005 
       Octanol/air (Koa) model:  5.64E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  96.5983 E-12 cm3/molecule-sec
      Half-Life =     0.111 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.329 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):
      2.06E-005 (Junge-Pankow, Mackay avg)
      5.64E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.893E+004  L/kg (MCI method)
      Log Koc:  4.277       (MCI method)
      Koc    :  4.483E+004  L/kg (Kow method)
      Log Koc:  4.652       (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 = 3.207 (BCF = 1610 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.1642 days (HL = 14.59 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.615 (BCF = 4122)
   Log BAF Arnot-Gobas method (upper trophic) = 4.031 (BAF = 1.075e+004)
       log Kow used: 5.36 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.195 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.463  hours
    Half-Life from Model Lake :      135.8  hours   (5.66 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.02  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    56.22  percent
    Total to Air:               42.60  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.184           0.515        1000       
   Water     24.4            900          1000       
   Soil      49.1            1.8e+003     1000       
   Sediment  26.3            8.1e+003     0          
     Persistence Time: 319 hr