CAS Num: 000093-53-8
SMILES : O=CC(c(cccc1)c1)C
CHEM   : Benzeneacetaldehyde, .alpha.-methyl-
MOL FOR: C9 H10 O1 
MOL WT : 134.18
------------------------------ 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) =  1.96

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  209.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -10.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.303  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  40.4  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  203.5 deg C
    VP  (exp database):  2.70E-01 mm Hg (3.60E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1877
       log Kow used: 1.96 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2594.9 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.27E-006  atm-m3/mole  (7.37E-001 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:  2.850E-005 atm-m3/mole  (2.888E+000 Pa-m3/mole)
      VP:   0.303 mm Hg (source: MPBPVP)
      WS:   1.88E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.96  (KowWin est)
  Log Kaw used:  -3.527  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.487
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.1511
   Biowin2 (Non-Linear Model)     :   1.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8721  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7871  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7561
   Biowin6 (MITI Non-Linear Model):   0.9071
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5387
 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):  36 Pa (0.27 mm Hg)
  Log Koa (Koawin est  ): 5.487
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.33E-008 
       Octanol/air (Koa) model:  7.53E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.01E-006 
       Mackay model           :  6.67E-006 
       Octanol/air (Koa) model:  6.03E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.3713 E-12 cm3/molecule-sec
      Half-Life =     0.391 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.689 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.84E-006 (Junge-Pankow, Mackay avg)
      6.03E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  33.08  L/kg (MCI method)
      Log Koc:  1.520       (MCI method)
      Koc    :  60.25  L/kg (Kow method)
      Log Koc:  1.780       (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 = 0.960 (BCF = 9.118 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7712 days (HL = 0.1693 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.929 (BCF = 8.492)
   Log BAF Arnot-Gobas method (upper trophic) = 0.929 (BAF = 8.492)
       log Kow used: 1.96 (estimated)

 Volatilization from Water:
    Henry LC:  7.27E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      94.47  hours   (3.936 days)
    Half-Life from Model Lake :       1128  hours   (46.99 days)

 Removal In Wastewater Treatment:
    Total removal:               2.61  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.11  percent
    Total to Air:                0.41  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.06            9.38         1000       
   Water     32.9            360          1000       
   Soil      66              720          1000       
   Sediment  0.105           3.24e+003    0          
     Persistence Time: 402 hr