CAS Num: 000458-36-6
SMILES : O=CC=Cc1ccc(c(c1)OC)O
CHEM   : 4-HYDROXY-3-METHOXYCINNAMALDEHYDE
MOL FOR: C10 H10 O3 
MOL WT : 178.19
------------------------------ 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) =  1.16

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  309.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  90.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000104  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0139  (Modified Grain method)
    MP  (exp database):  84 deg C
    Subcooled liquid VP: 0.000383 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0511 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5711
       log Kow used: 1.16 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  60845 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.86E-012  atm-m3/mole  (9.99E-007 Pa-m3/mole)
   Group Method:   3.38E-011  atm-m3/mole  (3.42E-006 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:  4.270E-009 atm-m3/mole  (4.326E-004 Pa-m3/mole)
      VP:   0.000104 mm Hg (source: MPBPVP)
      WS:   5.71E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.16  (KowWin est)
  Log Kaw used:  -9.395  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.555
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1951
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8260  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9041  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8903
   Biowin6 (MITI Non-Linear Model):   0.9148
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7045
 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):  0.0511 Pa (0.000383 mm Hg)
  Log Koa (Koawin est  ): 10.555
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.87E-005 
       Octanol/air (Koa) model:  0.00881 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00212 
       Mackay model           :  0.00468 
       Octanol/air (Koa) model:  0.413 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  64.1268 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  66.7108 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    2.002 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.924 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.168000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =     0.336000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     6.821 Days (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     3.411 Days (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.0034 (Junge-Pankow, Mackay avg)
      0.413 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  30.92  L/kg (MCI method)
      Log Koc:  1.490       (MCI method)
      Koc    :  36.33  L/kg (Kow method)
      Log Koc:  1.560       (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 = 0.434 (BCF = 2.717 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1181 days (HL = 0.07619 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.306 (BCF = 2.024)
   Log BAF Arnot-Gobas method (upper trophic) = 0.306 (BAF = 2.024)
       log Kow used: 1.16 (estimated)

 Volatilization from Water:
    Henry LC:  3.38E-011 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.312E+007  hours   (9.634E+005 days)
    Half-Life from Model Lake : 2.522E+008  hours   (1.051E+007 days)

 Removal In Wastewater Treatment:
    Total removal:               1.90  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.81  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.000663        3.91         1000       
   Water     24.2            360          1000       
   Soil      75.7            720          1000       
   Sediment  0.0756          3.24e+003    0          
     Persistence Time: 695 hr