CAS Number: 73049-56-6
SMILES : C=CCc(cc1)cc(OC)c1OC(=O)C
CHEM   : Oils, clove, terpene-free
MOL FOR: C12 H14 O3 
MOL WT : 206.24
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  3.06
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  284.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  59.29  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00475  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.634  (Modified Grain method)
    MP  (exp database):  30.5 deg C
    BP  (exp database):  281 deg C
    VP  (exp database):  3.19E-03 mm Hg (4.25E-001 Pa) at 25 deg C
    Subcooled liquid VP: 0.00362 mm Hg (25 deg C, exp database VP )
                       : 0.482 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  98.28
       log Kow used: 3.06 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  48.621 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.56E-006  atm-m3/mole  (5.63E-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:  1.312E-005 atm-m3/mole  (1.329E+000 Pa-m3/mole)
      VP:   0.00475 mm Hg (source: MPBPVP)
      WS:   98.3 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.06  (KowWin est)
  Log Kaw used:  -3.643  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.703
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0101
   Biowin2 (Non-Linear Model)     :   0.9991
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7506  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7877  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6259
   Biowin6 (MITI Non-Linear Model):   0.6684
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3982
 Ready Biodegradability Prediction:   YES
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.483 Pa (0.00362 mm Hg)
  Log Koa (Koawin est  ): 6.703
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.22E-006 
       Octanol/air (Koa) model:  1.24E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000224 
       Mackay model           :  0.000497 
       Octanol/air (Koa) model:  9.91E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  67.3540 E-12 cm3/molecule-sec
      Half-Life =     0.159 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.906 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):
      0.000361 (Junge-Pankow, Mackay avg)
      9.91E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  229.4  L/kg (MCI method)
      Log Koc:  2.361       (MCI method)
      Koc    :  405.5  L/kg (Kow method)
      Log Koc:  2.608       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.954E+000  L/mol-sec
  Kb Half-Life at pH 8:       4.106  days   
  Kb Half-Life at pH 7:      41.057  days   
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.688 (BCF = 48.81 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9545 days (HL = 0.111 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.521 (BCF = 33.19)
   Log BAF Arnot-Gobas method (upper trophic) = 1.521 (BAF = 33.19)
       log Kow used: 3.06 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.56E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      152.7  hours   (6.362 days)
    Half-Life from Model Lake :       1786  hours   (74.42 days)
 
 Removal In Wastewater Treatment:
    Total removal:               6.52  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.09  percent
    Total to Air:                0.30  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.344           3.27         1000       
   Water     26.1            360          1000       
   Soil      73.3            720          1000       
   Sediment  0.276           3.24e+003    0          
     Persistence Time: 448 hr