CAS Number: 506-12-7
SMILES : O=C(O)CCCCCCCCCCCCCCCC
CHEM   : Heptadecanoic acid
MOL FOR: C17 H34 O2 
MOL WT : 270.46
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  7.45
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  370.44  (Adapted Stein & Brown method)
    Melting Pt (deg C):  124.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.84E-005  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.00379  (Modified Grain method)
    MP  (exp database):  61.3 deg C
    BP  (exp database):  363.8 deg C
    VP  (exp database):  6.23E-08 mm Hg (8.31E-006 Pa) at 25 deg C
    Subcooled liquid VP: 1.42E-007 mm Hg (25 deg C, exp database VP )
                       : 1.9E-005 Pa  (25 deg C, exp database VP )
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.01946
       log Kow used: 7.45 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.030587 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 :   3.84E-005  atm-m3/mole  (3.89E+000 Pa-m3/mole)
   Group Method:   5.23E-005  atm-m3/mole  (5.30E+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:  5.194E-004 atm-m3/mole  (5.262E+001 Pa-m3/mole)
      VP:   2.84E-005 mm Hg (source: MPBPVP)
      WS:   0.0195 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.45  (KowWin est)
  Log Kaw used:  -2.804  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  10.254
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7999
   Biowin2 (Non-Linear Model)     :   0.8396
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2644  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1122  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8303
   Biowin6 (MITI Non-Linear Model):   0.9101
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0154
 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):  1.89E-005 Pa (1.42E-007 mm Hg)
  Log Koa (Koawin est  ): 10.254
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.158 
       Octanol/air (Koa) model:  0.00441 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.851 
       Mackay model           :  0.927 
       Octanol/air (Koa) model:  0.261 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.0673 E-12 cm3/molecule-sec
      Half-Life =     0.508 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.092 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.889 (Junge-Pankow, Mackay avg)
      0.261 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  6418  L/kg (MCI method)
      Log Koc:  3.807       (MCI method)
      Koc    :  1.89E+004  L/kg (Kow method)
      Log Koc:  4.277       (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) = 1.0824 days (HL = 12.09 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.819 (BCF = 659)
   Log BAF Arnot-Gobas method (upper trophic) = 4.759 (BAF = 5.746e+004)
       log Kow used: 7.45 (estimated)
 
 Volatilization from Water:
    Henry LC:  5.23E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      20.09  hours
    Half-Life from Model Lake :        357  hours   (14.88 days)
 
 Removal In Wastewater Treatment:
    Total removal:              93.97  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.19  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       1.82            12.2         1000       
   Water     26.2            208          1000       
   Soil      70.7            416          1000       
   Sediment  1.35            1.87e+003    0          
     Persistence Time: 283 hr