Hexylamine

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) =  1.82
    Log Kow (Exper. database match) =  2.06
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  134.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -33.72  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.82  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -22.9 deg C
    BP  (exp database):  132.8 deg C
    VP  (exp database):  8.99E+00 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.057e+004
       log Kow used: 2.06 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.2e+004 mg/L (25 deg C)
        Exper. Ref:  EPA

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16353 mg/L
    Wat Sol (Exper. database match) =  12000.00
       Exper. Ref:  EPA

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.12E-005  atm-m3/mole
   Group Method:   3.46E-005  atm-m3/mole
   Exper Database: 2.68E-05  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  5.709E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.06  (exp database)
  Log Kaw used:  -2.960  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.020
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9616
   Biowin2 (Non-Linear Model)     :   0.9893
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2983  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0141  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6919
   Biowin6 (MITI Non-Linear Model):   0.8156
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7460
 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):  1.2E+003 Pa (8.99 mm Hg)
  Log Koa (Koawin est  ): 5.020
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.5E-009 
       Octanol/air (Koa) model:  2.57E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.04E-008 
       Mackay model           :  2E-007 
       Octanol/air (Koa) model:  2.06E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  37.2393 E-12 cm3/molecule-sec
      Half-Life =     0.287 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.447 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.45E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  206.4
      Log Koc:  2.315 

 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 = 0.886 (BCF = 7.695)
       log Kow used: 2.06 (expkow database)

 Volatilization from Water:
    Henry LC:  2.68E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:         23  hours
    Half-Life from Model Lake :      335.3  hours   (13.97 days)

 Removal In Wastewater Treatment:
    Total removal:               3.72  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.18  percent
    Total to Air:                1.45  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.32            6.89         1000       
   Water     31.3            208          1000       
   Soil      67.3            416          1000       
   Sediment  0.106           1.87e+003    0          
     Persistence Time: 254 hr