CAS Number: 118-34-3
SMILES : OC1C(O)C(Oc2c(OC)cc(C=CCO)cc2OC)OC(CO)C1O
CHEM   : Syringin
MOL FOR: C17 H24 O9 
MOL WT : 372.38
------------------------------ 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) =  -1.22
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  566.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  243.58  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.13E-016  (Modified Grain method)
    VP (Pa, 25 deg C) :  6.84E-014  (Modified Grain method)
    Subcooled liquid VP: 1.2E-013 mm Hg (25 deg C, Mod-Grain method)
                       : 1.6E-011 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.961e+004
       log Kow used: -1.22 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.18E-019  atm-m3/mole  (1.20E-014 Pa-m3/mole)
   Group Method:   2.08E-028  atm-m3/mole  (2.11E-023 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:  5.067E-021 atm-m3/mole  (5.134E-016 Pa-m3/mole)
      VP:   5.13E-016 mm Hg (source: MPBPVP)
      WS:   4.96E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.22  (KowWin est)
  Log Kaw used:  -17.317  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  16.097
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.4123
   Biowin2 (Non-Linear Model)     :   0.9987
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9931  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1794  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1879
   Biowin6 (MITI Non-Linear Model):   0.7694
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.5289
 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):  1.6E-011 Pa (1.2E-013 mm Hg)
  Log Koa (Koawin est  ): 16.097
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.88E+005 
       Octanol/air (Koa) model:  3.07E+003 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  1 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 316.3720 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant = 323.9720 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =   24.342 Min (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =   23.771 Min (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     6.825000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =   241.793 Min (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =   120.897 Min (at 7E11 mol/cm3) [Trans-isomer]
   Fraction sorbed to airborne particulates (phi):
      1 (Junge-Pankow, Mackay avg)
      1 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  169.6  L/kg (MCI method)
      Log Koc:  2.229       (MCI method)
      Koc    :  0.281  L/kg (Kow method)
      Log Koc:  -0.551      (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 v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.5009 days (HL = 0.003156 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.049 (BCF = 0.8942)
   Log BAF Arnot-Gobas method (upper trophic) = -0.049 (BAF = 0.8942)
       log Kow used: -1.22 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.18E-019 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 9.575E+015  hours   (3.989E+014 days)
    Half-Life from Model Lake : 1.045E+017  hours   (4.352E+015 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       2.56e-005       0.675        1000       
   Water     18.1            360          1000       
   Soil      81.8            720          1000       
   Sediment  0.153           3.24e+003    0          
     Persistence Time: 759 hr