CAS Number: 8016-87-3
SMILES : O=C1CC2(C(C)C)C(C1C)C2
CHEM   : Oils, tansy
MOL FOR: C10 H16 O1 
MOL WT : 152.24
------------------------------ 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) =  2.65
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  200.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  20.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.449  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  59.8  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  203 deg C
    VP  (exp database):  4.12E-01 mm Hg (5.49E+001 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  407.7
       log Kow used: 2.65 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  501.2 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.00E-005  atm-m3/mole  (7.09E+000 Pa-m3/mole)
   Group Method:   1.58E-005  atm-m3/mole  (1.60E+000 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:  2.206E-004 atm-m3/mole  (2.235E+001 Pa-m3/mole)
      VP:   0.449 mm Hg (source: MPBPVP)
      WS:   408 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.65  (KowWin est)
  Log Kaw used:  -2.543  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.193
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4980
   Biowin2 (Non-Linear Model)     :   0.2093
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6281  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4524  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4595
   Biowin6 (MITI Non-Linear Model):   0.3860
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4557
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  54.9 Pa (0.412 mm Hg)
  Log Koa (Koawin est  ): 5.193
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.46E-008 
       Octanol/air (Koa) model:  3.83E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.97E-006 
       Mackay model           :  4.37E-006 
       Octanol/air (Koa) model:  3.06E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.1227 E-12 cm3/molecule-sec
      Half-Life =     2.088 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    25.055 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.17E-006 (Junge-Pankow, Mackay avg)
      3.06E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  131  L/kg (MCI method)
      Log Koc:  2.117       (MCI method)
      Koc    :  385.9  L/kg (Kow method)
      Log Koc:  2.586       (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 = 1.413 (BCF = 25.88 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1832 days (HL = 0.6559 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.603 (BCF = 40.1)
   Log BAF Arnot-Gobas method (upper trophic) = 1.603 (BAF = 40.1)
       log Kow used: 2.65 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.58E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      46.98  hours   (1.958 days)
    Half-Life from Model Lake :        616  hours   (25.67 days)
 
 Removal In Wastewater Treatment:
    Total removal:               4.44  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.48  percent
    Total to Air:                0.86  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.74            50.1         1000       
   Water     22.4            900          1000       
   Soil      75.6            1.8e+003     1000       
   Sediment  0.185           8.1e+003     0          
     Persistence Time: 905 hr