CAS Num: 000123-11-5
SMILES : O=Cc(ccc(OC)c1)c1
CHEM   : Benzaldehyde, 4-methoxy-
MOL FOR: C8 H8 O2 
MOL WT : 136.15
------------------------------ 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) =  1.79
    Log Kow (Exper. database match) =  1.76
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  221.63  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.84  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0303  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.04  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  0 deg C
    BP  (exp database):  248 deg C
    VP  (exp database):  3.29E-02 mm Hg (4.39E+000 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2728
       log Kow used: 1.76 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4290 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3096.1 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.94E-007  atm-m3/mole  (8.05E-002 Pa-m3/mole)
   Group Method:   2.28E-005  atm-m3/mole  (2.31E+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:  1.990E-006 atm-m3/mole  (2.016E-001 Pa-m3/mole)
      VP:   0.0303 mm Hg (source: MPBPVP)
      WS:   2.73E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.76  (exp database)
  Log Kaw used:  -4.489  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.249
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0993
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8625  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9251  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9470
   Biowin6 (MITI Non-Linear Model):   0.9594
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6754
 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):  4.39 Pa (0.0329 mm Hg)
  Log Koa (Koawin est  ): 6.249
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.84E-007 
       Octanol/air (Koa) model:  4.36E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.47E-005 
       Mackay model           :  5.47E-005 
       Octanol/air (Koa) model:  3.48E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  24.7890 E-12 cm3/molecule-sec
      Half-Life =     0.431 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.178 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.97E-005 (Junge-Pankow, Mackay avg)
      3.48E-005 (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    :  53.12  L/kg (Kow method)
      Log Koc:  1.725       (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 = 0.828 (BCF = 6.734 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.2853 days (HL = 0.5184 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.820 (BCF = 6.613)
   Log BAF Arnot-Gobas method (upper trophic) = 0.820 (BAF = 6.613)
       log Kow used: 1.76 (expkow database)

 Volatilization from Water:
    Henry LC:  2.28E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      31.15  hours   (1.298 days)
    Half-Life from Model Lake :      437.7  hours   (18.24 days)

 Removal In Wastewater Treatment:
    Total removal:               3.30  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.96  percent
    Total to Air:                1.24  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.58            10.4         1000       
   Water     40.1            360          1000       
   Soil      58.2            720          1000       
   Sediment  0.0903          3.24e+003    0          
     Persistence Time: 340 hr