CAS Num: 008022-19-3
SMILES : C1C=CC(C)=C(C(=O))C1(C)C
CHEM   : Oils, saffron
MOL FOR: C10 H14 O1 
MOL WT : 150.22
------------------------------ 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) =  3.22

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  216.25  (Adapted Stein & Brown method)
    Melting Pt (deg C):  20.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.159  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  21.2  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  < 25 deg C
    BP  (exp database):  70 @ 1 mm Hg deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  134.2
       log Kow used: 3.22 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1591.6 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Aldehydes

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.35E-004  atm-m3/mole  (1.37E+001 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:  2.342E-004 atm-m3/mole  (2.373E+001 Pa-m3/mole)
      VP:   0.159 mm Hg (source: MPBPVP)
      WS:   134 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.22  (KowWin est)
  Log Kaw used:  -2.258  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.478
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7767
   Biowin2 (Non-Linear Model)     :   0.9982
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6774  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6742  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7776
   Biowin6 (MITI Non-Linear Model):   0.8433
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1186
 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):  19.6 Pa (0.147 mm Hg)
  Log Koa (Koawin est  ): 5.478
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.53E-007 
       Octanol/air (Koa) model:  7.38E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.53E-006 
       Mackay model           :  1.22E-005 
       Octanol/air (Koa) model:  5.9E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 106.8974 E-12 cm3/molecule-sec
      Half-Life =     0.100 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.201 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.475600 E-17 cm3/molecule-sec
      Half-Life =     0.209 Days (at 7E11 mol/cm3)
      Half-Life =      5.023 Hrs
   Fraction sorbed to airborne particulates (phi):
      8.89E-006 (Junge-Pankow, Mackay avg)
      5.9E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  43.8  L/kg (MCI method)
      Log Koc:  1.642       (MCI method)
      Koc    :  299.8  L/kg (Kow method)
      Log Koc:  2.477       (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 = 1.793 (BCF = 62.05 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.0452 days (HL = 1.11 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.107 (BCF = 127.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.107 (BAF = 127.9)
       log Kow used: 3.22 (estimated)

 Volatilization from Water:
    Henry LC:  0.000135 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      6.566  hours
    Half-Life from Model Lake :      174.4  hours   (7.267 days)

 Removal In Wastewater Treatment:
    Total removal:              13.71  percent
    Total biodegradation:        0.14  percent
    Total sludge adsorption:     7.66  percent
    Total to Air:                5.91  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.292           1.63         1000       
   Water     31              900          1000       
   Soil      68.6            1.8e+003     1000       
   Sediment  0.124           8.1e+003     0          
     Persistence Time: 479 hr