CAS Number: 55682-92-3
SMILES : O=C(OC)CCCCCCCCCCCCCCCCCCCCCCCCCCC
CHEM   : METHYL OCTACOSANOATE
MOL FOR: C29 H58 O2 
MOL WT : 438.78
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  13.14
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  465.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  171.81  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.29E-009  (Modified Grain method)
    VP (Pa, 25 deg C) :  8.39E-007  (Modified Grain method)
    Subcooled liquid VP: 2.08E-007 mm Hg (25 deg C, Mod-Grain method)
                       : 2.77E-005 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.049e-008
       log Kow used: 13.14 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.3878e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.77E-001  atm-m3/mole  (2.81E+004 Pa-m3/mole)
   Group Method:   9.30E-001  atm-m3/mole  (9.42E+004 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:  3.462E-001 atm-m3/mole  (3.508E+004 Pa-m3/mole)
      VP:   6.29E-009 mm Hg (source: MPBPVP)
      WS:   1.05E-008 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  13.14  (KowWin est)
  Log Kaw used:  1.054  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.086
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8213
   Biowin2 (Non-Linear Model)     :   0.9371
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6681  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7127  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0361
   Biowin6 (MITI Non-Linear Model):   0.9710
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2068
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  2.77E-005 Pa (2.08E-007 mm Hg)
  Log Koa (Koawin est  ): 12.086
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.108 
       Octanol/air (Koa) model:  0.299 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.796 
       Mackay model           :  0.896 
       Octanol/air (Koa) model:  0.96 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  35.8030 E-12 cm3/molecule-sec
      Half-Life =     0.299 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.585 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.846 (Junge-Pankow, Mackay avg)
      0.96 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.918E+007  L/kg (MCI method)
      Log Koc:  7.283       (MCI method)
      Koc    :  1.342E+008  L/kg (Kow method)
      Log Koc:  8.128       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.016E-002  L/mol-sec
  Kb Half-Life at pH 8:     266.000  days   
  Kb Half-Life at pH 7:       7.283  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.115 (BCF = 13.02 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.7694 days (HL = 58.8 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.046 (BCF = 0.9004)
   Log BAF Arnot-Gobas method (upper trophic) = 1.094 (BAF = 12.41)
       log Kow used: 13.14 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.93 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      2.139  hours
    Half-Life from Model Lake :        199  hours   (8.291 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  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       0.218           7.17         1000       
   Water     16.1            900          1000       
   Soil      83.6            1.8e+003     1000       
   Sediment  0.0268          8.1e+003     0          
     Persistence Time: 1.19e+003 hr