CAS Number: 141-22-0
SMILES : O=C(O)CCCCCCCC=CCC(O)CCCCCC
CHEM   : 9-Octadecenoic acid, 12-hydroxy-,  R-(Z) -
MOL FOR: C18 H34 O3 
MOL WT : 298.47
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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 v1.68 estimate) =  6.19
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  418.33  (Adapted Stein & Brown method)
    Melting Pt (deg C):  153.15  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00449  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.598  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  5.5 deg C
    BP  (exp database):  245 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.5198
       log Kow used: 6.19 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  3460 mg/L (25 deg C)
        Exper. Ref:  SEIDELL,A (1941)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.88286 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-009  atm-m3/mole  (1.66E-004 Pa-m3/mole)
   Group Method:   3.70E-010  atm-m3/mole  (3.75E-005 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:  3.392E-003 atm-m3/mole  (3.437E+002 Pa-m3/mole)
      VP:   0.00449 mm Hg (source: MPBPVP)
      WS:   0.52 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.19  (KowWin est)
  Log Kaw used:  -7.174  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.364
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9453
   Biowin2 (Non-Linear Model)     :   0.9149
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3625  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.2012  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7710
   Biowin6 (MITI Non-Linear Model):   0.8331
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7833
 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):  0.575 Pa (0.00431 mm Hg)
  Log Koa (Koawin est  ): 13.364
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.22E-006 
       Octanol/air (Koa) model:  5.68 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000189 
       Mackay model           :  0.000417 
       Octanol/air (Koa) model:  0.998 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  84.5254 E-12 cm3/molecule-sec [Cis-isomer]
      OVERALL OH Rate Constant =  92.1254 E-12 cm3/molecule-sec [Trans-isomer]
      Half-Life =    1.519 Hrs (12-hr day; 1.5E6 OH/cm3) [Cis-isomer]
      Half-Life =    1.393 Hrs (12-hr day; 1.5E6 OH/cm3) [Trans-isomer]
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.000000 E-17 cm3/molecule-sec [Cis-]
      OVERALL Ozone Rate Constant =    20.000000 E-17 cm3/molecule-sec [Trans-]
      Half-Life =     2.116 Hrs (at 7E11 mol/cm3) [Cis-isomer]
      Half-Life =     1.375 Hrs (at 7E11 mol/cm3) [Trans-isomer]
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      0.000303 (Junge-Pankow, Mackay avg)
      0.998 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  902.5  L/kg (MCI method)
      Log Koc:  2.955       (MCI method)
      Koc    :  1473  L/kg (Kow method)
      Log Koc:  3.168       (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 v3.01):
   Log BCF from regression-based method = 1.750 (BCF = 56.23 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.5192 days (HL = 3.305 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.004 (BCF = 1010)
   Log BAF Arnot-Gobas method (upper trophic) = 3.259 (BAF = 1816)
       log Kow used: 6.19 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.7E-010 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 2.734E+006  hours   (1.139E+005 days)
    Half-Life from Model Lake : 2.982E+007  hours   (1.243E+006 days)
 
 Removal In Wastewater Treatment:
    Total removal:              92.81  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.04  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       0.0103          1.25         1000       
   Water     18.8            208          1000       
   Soil      80.7            416          1000       
   Sediment  0.396           1.87e+003    0          
     Persistence Time: 450 hr