CAS Number: 10544-96-4
SMILES : CCCCCCCCCCCCC(C)CCCCC
CHEM   : OCTADECANE, 6-METHYL-
MOL FOR: C19 H40 
MOL WT : 268.53
------------------------------ 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) =  9.60
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  312.92  (Adapted Stein & Brown method)
    Melting Pt (deg C):  24.62  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00186  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.248  (Modified Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.433e-005
       log Kow used: 9.60 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4.2589e-006 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   6.79E+001  atm-m3/mole  (6.88E+006 Pa-m3/mole)
   Group Method:   1.81E+002  atm-m3/mole  (1.84E+007 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:  1.914E+001 atm-m3/mole  (1.940E+006 Pa-m3/mole)
      VP:   0.00186 mm Hg (source: MPBPVP)
      WS:   3.43E-005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  9.60  (KowWin est)
  Log Kaw used:  3.443  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.157
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8366
   Biowin2 (Non-Linear Model)     :   0.9470
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2024  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9985  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6051
   Biowin6 (MITI Non-Linear Model):   0.7639
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1859
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.4861
     BioHC Half-Life (days)     :  30.6280
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.248 Pa (0.00186 mm Hg)
  Log Koa (Koawin est  ): 6.157
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.21E-005 
       Octanol/air (Koa) model:  3.52E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000437 
       Mackay model           :  0.000967 
       Octanol/air (Koa) model:  2.82E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  24.1041 E-12 cm3/molecule-sec
      Half-Life =     0.444 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.325 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000702 (Junge-Pankow, Mackay avg)
      2.82E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.832E+005  L/kg (MCI method)
      Log Koc:  5.452       (MCI method)
      Koc    :  2.145E+008  L/kg (Kow method)
      Log Koc:  8.331       (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 = 2.254 (BCF = 179.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.6996 days (HL = 50.07 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.366 (BCF = 23.23)
   Log BAF Arnot-Gobas method (upper trophic) = 4.470 (BAF = 2.951e+004)
       log Kow used: 9.60 (estimated)
 
 Volatilization from Water:
    Henry LC:  67.9 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.672  hours
    Half-Life from Model Lake :      155.6  hours   (6.485 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.47  percent
    Total biodegradation:        0.63  percent
    Total sludge adsorption:    85.23  percent
    Total to Air:                9.60  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.5             10.6         1000       
   Water     83.6            360          1000       
   Soil      6.39            720          1000       
   Sediment  3.49            3.24e+003    0          
     Persistence Time: 135 hr