CAS Num: 000544-63-8
SMILES : O=C(O)CCCCCCCCCCCCC
CHEM   : Tetradecanoic acid
MOL FOR: C14 H28 O2 
MOL WT : 228.38
------------------------------ 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) =  5.98
    Log Kow (Exper. database match) =  6.11
       Exper. Ref:  SANGSTER (1993)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  335.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  99.73  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00026  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0346  (Modified Grain method)
    MP  (exp database):  53.9 deg C
    BP  (exp database):  326.2 deg C
    VP  (exp database):  1.40E-06 mm Hg (1.87E-004 Pa) at 25 deg C
    Subcooled liquid VP: 2.7E-006 mm Hg (25 deg C, exp database VP )
                       : 0.00036 Pa  (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.4668
       log Kow used: 6.11 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.07 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.0548 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 :   1.64E-005  atm-m3/mole  (1.66E+000 Pa-m3/mole)
   Group Method:   1.86E-005  atm-m3/mole  (1.88E+000 Pa-m3/mole)
   Exper Database: 4.95E-07  atm-m3/mole  (5.02E-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:  1.674E-004 atm-m3/mole  (1.696E+001 Pa-m3/mole)
      VP:   0.00026 mm Hg (source: MPBPVP)
      WS:   0.467 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.11  (exp database)
  Log Kaw used:  -4.694  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  10.804
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8199
   Biowin2 (Non-Linear Model)     :   0.9049
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3574  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1729  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8073
   Biowin6 (MITI Non-Linear Model):   0.9038
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9374
 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):  0.00036 Pa (2.7E-006 mm Hg)
  Log Koa (Koawin est  ): 10.804
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00833 
       Octanol/air (Koa) model:  0.0156 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.231 
       Mackay model           :  0.4 
       Octanol/air (Koa) model:  0.556 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  16.8282 E-12 cm3/molecule-sec
      Half-Life =     0.636 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.627 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.316 (Junge-Pankow, Mackay avg)
      0.556 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1060  L/kg (MCI method)
      Log Koc:  3.025       (MCI method)
      Koc    :  3430  L/kg (Kow method)
      Log Koc:  3.535       (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 = 1.750 (BCF = 56.23 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.7049 days (HL = 5.069 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.197 (BCF = 1573)
   Log BAF Arnot-Gobas method (upper trophic) = 3.588 (BAF = 3874)
       log Kow used: 6.11 (expkow database)

 Volatilization from Water:
    Henry LC:  4.95E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1789  hours   (74.54 days)
    Half-Life from Model Lake : 1.964E+004  hours   (818.5 days)

 Removal In Wastewater Treatment:
    Total removal:              92.57  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.80  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.81            15.3         1000       
   Water     26.1            208          1000       
   Soil      71.4            416          1000       
   Sediment  0.63            1.87e+003    0          
     Persistence Time: 300 hr