CAS Num: 010486-19-8
SMILES : O=CCCCCCCCCCCCC
CHEM   : Tridecanal
MOL FOR: C13 H26 O1 
MOL WT : 198.35
------------------------------ 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) =  5.24

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  269.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  24.41  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00947  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.26  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  14 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.506
       log Kow used: 5.24 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.6574 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.53E-003  atm-m3/mole  (1.55E+002 Pa-m3/mole)
   Group Method:   2.68E-003  atm-m3/mole  (2.72E+002 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:  1.641E-003 atm-m3/mole  (1.663E+002 Pa-m3/mole)
      VP:   0.00947 mm Hg (source: MPBPVP)
      WS:   1.51 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.24  (KowWin est)
  Log Kaw used:  -1.204  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.444
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0462
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0815  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0273  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0774
   Biowin6 (MITI Non-Linear Model):   0.9864
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8472
 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):  1.29 Pa (0.00969 mm Hg)
  Log Koa (Koawin est  ): 6.444
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.32E-006 
       Octanol/air (Koa) model:  6.82E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.39E-005 
       Mackay model           :  0.000186 
       Octanol/air (Koa) model:  5.46E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  38.7224 E-12 cm3/molecule-sec
      Half-Life =     0.276 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.315 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000135 (Junge-Pankow, Mackay avg)
      5.46E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  397.7  L/kg (MCI method)
      Log Koc:  2.600       (MCI method)
      Koc    :  3928  L/kg (Kow method)
      Log Koc:  3.594       (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 = 1.748 (BCF = 55.92 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.3554 days (HL = 2.267 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.937 (BCF = 864.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.956 (BAF = 903.5)
       log Kow used: 5.24 (estimated)

 Volatilization from Water:
    Henry LC:  0.00268 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.745  hours
    Half-Life from Model Lake :      137.1  hours   (5.714 days)

 Removal In Wastewater Treatment:
    Total removal:              86.99  percent
    Total biodegradation:        0.61  percent
    Total sludge adsorption:    77.39  percent
    Total to Air:                8.99  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.49            6.63         1000       
   Water     28.2            360          1000       
   Soil      68.9            720          1000       
   Sediment  0.456           3.24e+003    0          
     Persistence Time: 230 hr