CAS Number: 57402-36-5
SMILES : O=C(CCCCCCCCCCCCCCCCCCCCC)
CHEM   : DOCOSANAL
MOL FOR: C22 H44 O1 
MOL WT : 324.60
------------------------------ 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) =  9.66
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  387.04  (Adapted Stein & Brown method)
    Melting Pt (deg C):  109.44  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.54E-006  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.000338  (Modified Grain method)
    Subcooled liquid VP: 1.71E-005 mm Hg (25 deg C, Mod-Grain method)
                       : 0.00228 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  4.989e-005
       log Kow used: 9.66 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.3855e-005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Aldehydes (Mono)
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.96E-002  atm-m3/mole  (1.99E+003 Pa-m3/mole)
   Group Method:   6.00E-002  atm-m3/mole  (6.08E+003 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:  2.174E-002 atm-m3/mole  (2.203E+003 Pa-m3/mole)
      VP:   2.54E-006 mm Hg (source: MPBPVP)
      WS:   4.99E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.66  (KowWin est)
  Log Kaw used:  -0.096  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.756
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9861
   Biowin2 (Non-Linear Model)     :   0.9994
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8025  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8451  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1466
   Biowin6 (MITI Non-Linear Model):   0.9891
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0811
 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):  0.00228 Pa (1.71E-005 mm Hg)
  Log Koa (Koawin est  ): 9.756
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00132 
       Octanol/air (Koa) model:  0.0014 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0454 
       Mackay model           :  0.0952 
       Octanol/air (Koa) model:  0.101 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.4399 E-12 cm3/molecule-sec
      Half-Life =     0.208 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.495 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.0703 (Junge-Pankow, Mackay avg)
      0.101 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8.818E+004  L/kg (MCI method)
      Log Koc:  4.945       (MCI method)
      Koc    :  1.094E+006  L/kg (Kow method)
      Log Koc:  6.039       (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 = 2.226 (BCF = 168.3 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.6077 days (HL = 40.53 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.233 (BCF = 17.09)
   Log BAF Arnot-Gobas method (upper trophic) = 4.236 (BAF = 1.724e+004)
       log Kow used: 9.66 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.06 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.856  hours
    Half-Life from Model Lake :      171.3  hours   (7.138 days)
 
 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.574           4.99         1000       
   Water     26.4            360          1000       
   Soil      72.7            720          1000       
   Sediment  0.301           3.24e+003    0          
     Persistence Time: 430 hr