CAS Num: 000638-53-9
SMILES : O=C(O)CCCCCCCCCCCC
CHEM   : Tridecanoic acid
MOL FOR: C13 H26 O2 
MOL WT : 214.35
------------------------------ 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) =  5.49

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  322.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  91.00  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00067  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0893  (Modified Grain method)
    MP  (exp database):  44.5 deg C
    BP  (exp database):  312.4 deg C
    VP  (exp database):  1.26E-05 mm Hg (1.68E-003 Pa) at 25 deg C
    Subcooled liquid VP: 1.96E-005 mm Hg (25 deg C, exp database VP )
                       : 0.00262 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.88
       log Kow used: 5.49 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  33 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.4091 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.24E-005  atm-m3/mole  (1.25E+000 Pa-m3/mole)
   Group Method:   1.31E-005  atm-m3/mole  (1.33E+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:  1.005E-004 atm-m3/mole  (1.018E+001 Pa-m3/mole)
      VP:   0.00067 mm Hg (source: MPBPVP)
      WS:   1.88 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.49  (KowWin est)
  Log Kaw used:  -3.295  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.785
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8266
   Biowin2 (Non-Linear Model)     :   0.9207
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3884  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1931  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7996
   Biowin6 (MITI Non-Linear Model):   0.9017
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9114
 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):  0.00261 Pa (1.96E-005 mm Hg)
  Log Koa (Koawin est  ): 8.785
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00115 
       Octanol/air (Koa) model:  0.00015 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0398 
       Mackay model           :  0.0841 
       Octanol/air (Koa) model:  0.0118 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.4152 E-12 cm3/molecule-sec
      Half-Life =     0.694 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.326 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.062 (Junge-Pankow, Mackay avg)
      0.0118 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  581.8  L/kg (MCI method)
      Log Koc:  2.765       (MCI method)
      Koc    :  1557  L/kg (Kow method)
      Log Koc:  3.192       (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 = 1.000 (BCF = 10 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5258 days (HL = 3.356 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.093 (BCF = 1239)
   Log BAF Arnot-Gobas method (upper trophic) = 3.161 (BAF = 1447)
       log Kow used: 5.49 (estimated)

 Volatilization from Water:
    Henry LC:  1.31E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      66.93  hours   (2.789 days)
    Half-Life from Model Lake :      852.9  hours   (35.54 days)

 Removal In Wastewater Treatment:
    Total removal:              88.16  percent
    Total biodegradation:        0.74  percent
    Total sludge adsorption:    87.37  percent
    Total to Air:                0.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.33            16.7         1000       
   Water     27              208          1000       
   Soil      70.2            416          1000       
   Sediment  0.432           1.87e+003    0          
     Persistence Time: 282 hr