CAS Number: 111-86-4
SMILES : NCCCCCCCC
CHEM   : 1-Octanamine
MOL FOR: C8 H19 N1 
MOL WT : 129.25
------------------------------ 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) =  2.80
    Log Kow (Exper. database match) =  2.90
       Exper. Ref:  SANGSTER (1993)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  178.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -9.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.984  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  131  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  0 deg C
    BP  (exp database):  179.6 deg C
    VP  (exp database):  9.69E-01 mm Hg (1.29E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3147
       log Kow used: 2.90 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  200 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1761.3 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aliphatic Amines
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.51E-005  atm-m3/mole  (5.58E+000 Pa-m3/mole)
   Group Method:   6.89E-005  atm-m3/mole  (6.99E+000 Pa-m3/mole)
   Exper Database: 8.24E-04  atm-m3/mole  (8.35E+001 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:  5.318E-005 atm-m3/mole  (5.388E+000 Pa-m3/mole)
      VP:   0.984 mm Hg (source: MPBPVP)
      WS:   3.15E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.90  (exp database)
  Log Kaw used:  -1.473  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.373
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9483
   Biowin2 (Non-Linear Model)     :   0.9841
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2363  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9736  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7072
   Biowin6 (MITI Non-Linear Model):   0.8229
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7980
 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):  129 Pa (0.969 mm Hg)
  Log Koa (Koawin est  ): 4.373
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.32E-008 
       Octanol/air (Koa) model:  5.79E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.39E-007 
       Mackay model           :  1.86E-006 
       Octanol/air (Koa) model:  4.64E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  40.0654 E-12 cm3/molecule-sec
      Half-Life =     0.267 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.204 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.35E-006 (Junge-Pankow, Mackay avg)
      4.64E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  487.8  L/kg (MCI method)
      Log Koc:  2.688       (MCI method)
      Koc    :  321.7  L/kg (Kow method)
      Log Koc:  2.507       (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 = 1.580 (BCF = 38.06 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1219 days (HL = 0.7552 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.822 (BCF = 66.31)
   Log BAF Arnot-Gobas method (upper trophic) = 1.822 (BAF = 66.31)
       log Kow used: 2.90 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.000824 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.968  hours
    Half-Life from Model Lake :      116.8  hours   (4.866 days)
 
 Removal In Wastewater Treatment:
    Total removal:              29.15  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     4.09  percent
    Total to Air:               24.96  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.35            6.41         1000       
   Water     20.6            360          1000       
   Soil      77.6            720          1000       
   Sediment  0.397           3.24e+003    0          
     Persistence Time: 339 hr