CAS Number: 26627-85-0
SMILES : CCCCCCCCCCCCCCCCCCCCCCCCCC=O
CHEM   : hexacosanal
MOL FOR: C26 H52 O1 
MOL WT : 380.70
------------------------------ 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) =  11.62
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  433.46  (Adapted Stein & Brown method)
    Melting Pt (deg C):  145.53  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.56E-008  (Modified Grain method)
    VP (Pa, 25 deg C) :  1.01E-005  (Modified Grain method)
    Subcooled liquid VP: 1.26E-006 mm Hg (25 deg C, Mod-Grain method)
                       : 0.000168 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.799e-007
       log Kow used: 11.62 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.3255e-007 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.09E-002  atm-m3/mole  (6.17E+003 Pa-m3/mole)
   Group Method:   2.39E-001  atm-m3/mole  (2.42E+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:  7.891E-002 atm-m3/mole  (7.996E+003 Pa-m3/mole)
      VP:   7.56E-008 mm Hg (source: MPBPVP)
      WS:   4.8E-007 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.62  (KowWin est)
  Log Kaw used:  0.396  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  11.224
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9594
   Biowin2 (Non-Linear Model)     :   0.9987
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6785  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.7642  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.1773
   Biowin6 (MITI Non-Linear Model):   0.9901
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1851
 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):  0.000168 Pa (1.26E-006 mm Hg)
  Log Koa (Koawin est  ): 11.224
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0179 
       Octanol/air (Koa) model:  0.0411 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.392 
       Mackay model           :  0.588 
       Octanol/air (Koa) model:  0.767 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  57.0921 E-12 cm3/molecule-sec
      Half-Life =     0.187 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.248 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.49 (Junge-Pankow, Mackay avg)
      0.767 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9.727E+005  L/kg (MCI method)
      Log Koc:  5.988       (MCI method)
      Koc    :  1.328E+007  L/kg (Kow method)
      Log Koc:  7.123       (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 = 1.263 (BCF = 18.34 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 2.1644 days (HL = 146 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.150 (BCF = 1.412)
   Log BAF Arnot-Gobas method (upper trophic) = 3.176 (BAF = 1500)
       log Kow used: 11.62 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.239 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      1.996  hours
    Half-Life from Model Lake :      185.4  hours   (7.724 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       0.202           4.5          1000       
   Water     18.4            900          1000       
   Soil      81.3            1.8e+003     1000       
   Sediment  0.0513          8.1e+003     0          
     Persistence Time: 1.03e+003 hr