Octadecan-1-ol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  7.72

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  354.66  (Adapted Stein & Brown method)
    Melting Pt (deg C):  86.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.83E-006  (Modified Grain method)
    MP  (exp database):  59.5 deg C
    BP  (exp database):  210 @ 15 mm Hg deg C
    VP  (exp database):  2.70E-06 mm Hg at 25 deg C
    Subcooled liquid VP: 5.92E-006 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0151
       log Kow used: 7.72 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  0.0011 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & VALVANI,SC (1980)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0067926 mg/L
    Wat Sol (Exper. database match) =  0.00
       Exper. Ref:  YALKOWSKY,SH & VALVANI,SC (1980)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.27E-004  atm-m3/mole
   Group Method:   1.23E-003  atm-m3/mole
   Exper Database: 8.41E-04  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  4.313E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.72  (KowWin est)
  Log Kaw used:  -1.464  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  9.184
      Log Koa (experimental database):  10.930

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8859
   Biowin2 (Non-Linear Model)     :   0.8937
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0597  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8560  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9090
   Biowin6 (MITI Non-Linear Model):   0.9544
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.0134
 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):  0.000789 Pa (5.92E-006 mm Hg)
  Log Koa (Exp database): 10.930
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0038 
       Octanol/air (Koa) model:  0.0209 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.121 
       Mackay model           :  0.233 
       Octanol/air (Koa) model:  0.626 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.6727 E-12 cm3/molecule-sec
      Half-Life =     0.401 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.812 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.177 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.288E+004
      Log Koc:  4.110 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.329 (BCF = 213.1)
       log Kow used: 7.72 (estimated)

 Volatilization from Water:
    Henry LC:  0.000841 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      2.823  hours
    Half-Life from Model Lake :      168.7  hours   (7.029 days)

 Removal In Wastewater Treatment:
    Total removal:              94.00  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.21  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       0.317           9.62         1000       
   Water     3.79            360          1000       
   Soil      28.8            720          1000       
   Sediment  67.1            3.24e+003    0          
     Persistence Time: 1.24e+003 hr