CAS Num: 008024-40-6
SMILES : c3(O)cc(O)c2c(c3)OC(c1ccccc1)=C(O)C2(=O)
CHEM   : Oils, galangal
MOL FOR: C15 H10 O5 
MOL WT : 270.24
------------------------------ 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) =  2.44

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  480.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  203.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.02E-012  (Modified Grain method)
    VP (Pa, 25 deg C) :  9.37E-010  (Modified Grain method)
    MP  (exp database):  214.5 deg C
    Subcooled liquid VP: 7.32E-010 mm Hg (25 deg C, Mod-Grain method)
                       : 9.75E-008 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  571.9
       log Kow used: 2.44 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  659.18 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Ketones
       Vinyl/Allyl Ethers
       Vinyl/Allyl Alcohols
       Phenols, Poly 

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.09E-013  atm-m3/mole  (6.17E-008 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:  4.365E-015 atm-m3/mole  (4.423E-010 Pa-m3/mole)
      VP:   7.02E-012 mm Hg (source: MPBPVP)
      WS:   572 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.44  (KowWin est)
  Log Kaw used:  -10.604  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.044
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2761
   Biowin2 (Non-Linear Model)     :   0.9967
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8161  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7265  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5683
   Biowin6 (MITI Non-Linear Model):   0.4261
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4666
 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):  9.76E-008 Pa (7.32E-010 mm Hg)
  Log Koa (Koawin est  ): 13.044
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  30.7 
       Octanol/air (Koa) model:  2.72 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.999 
       Mackay model           :  1 
       Octanol/air (Koa) model:  0.995 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 238.9200 E-12 cm3/molecule-sec
      Half-Life =     0.045 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.537 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    10.500000 E-17 cm3/molecule-sec
      Half-Life =     0.109 Days (at 7E11 mol/cm3)
      Half-Life =      2.619 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.999 (Junge-Pankow, Mackay avg)
      0.995 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  187.2  L/kg (MCI method)
      Log Koc:  2.272       (MCI method)
      Koc    :  280.9  L/kg (Kow method)
      Log Koc:  2.449       (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 = 0.691 (BCF = 4.912 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.8334 days (HL = 0.01468 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.688 (BCF = 4.875)
   Log BAF Arnot-Gobas method (upper trophic) = 0.688 (BAF = 4.875)
       log Kow used: 2.44 (estimated)

 Volatilization from Water:
    Henry LC:  6.09E-013 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:  1.58E+009  hours   (6.585E+007 days)
    Half-Life from Model Lake : 1.724E+010  hours   (7.184E+008 days)

 Removal In Wastewater Treatment:
    Total removal:               2.94  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.84  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       0.0183          0.762        1000       
   Water     19.9            360          1000       
   Soil      79.9            720          1000       
   Sediment  0.18            3.24e+003    0          
     Persistence Time: 658 hr