CAS Num: 000120-14-9
SMILES : O=Cc(ccc(OC)c1OC)c1
CHEM   : Benzaldehyde, 3,4-dimethoxy-
MOL FOR: C9 H10 O3 
MOL WT : 166.18
------------------------------ 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) =  1.36
    Log Kow (Exper. database match) =  1.22
       Exper. Ref:  BAZACO,JF & COCA,CM (1989)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  258.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  46.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00365  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.487  (Modified Grain method)
    MP  (exp database):  43 deg C
    BP  (exp database):  281 deg C
    Subcooled liquid VP: 0.00532 mm Hg (25 deg C, Mod-Grain method)
                       : 0.709 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5820
       log Kow used: 1.22 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  6320 mg/L (25 deg C)
        Exper. Ref:  JIN,LJ ET AL. (1998)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1778.2 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.70E-008  atm-m3/mole  (4.76E-003 Pa-m3/mole)
   Group Method:   1.86E-005  atm-m3/mole  (1.88E+000 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:  1.371E-007 atm-m3/mole  (1.389E-002 Pa-m3/mole)
      VP:   0.00365 mm Hg (source: MPBPVP)
      WS:   5.82E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.22  (exp database)
  Log Kaw used:  -5.716  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.936
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2169
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7380  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.9589  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0451
   Biowin6 (MITI Non-Linear Model):   0.9712
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8692
 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):  0.709 Pa (0.00532 mm Hg)
  Log Koa (Koawin est  ): 6.936
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.23E-006 
       Octanol/air (Koa) model:  2.12E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000153 
       Mackay model           :  0.000338 
       Octanol/air (Koa) model:  0.000169 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.9722 E-12 cm3/molecule-sec
      Half-Life =     0.382 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.589 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000245 (Junge-Pankow, Mackay avg)
      0.000169 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  30.37  L/kg (Kow method)
      Log Koc:  1.482       (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 = 0.472 (BCF = 2.965 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6189 days (HL = 0.2405 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.394 (BCF = 2.476)
   Log BAF Arnot-Gobas method (upper trophic) = 0.394 (BAF = 2.476)
       log Kow used: 1.22 (expkow database)

 Volatilization from Water:
    Henry LC:  1.86E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      41.89  hours   (1.746 days)
    Half-Life from Model Lake :      565.1  hours   (23.55 days)

 Removal In Wastewater Treatment:
    Total removal:               2.92  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  percent
    Total to Air:                1.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.928           9.18         1000       
   Water     43.8            900          1000       
   Soil      55.1            1.8e+003     1000       
   Sediment  0.105           8.1e+003     0          
     Persistence Time: 561 hr