CAS Num: 000106-21-8
SMILES : OCCC(CCCC(C)C)C
CHEM   : 1-Octanol, 3,7-dimethyl-
MOL FOR: C10 H22 O1 
MOL WT : 158.29
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.64

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  216.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -13.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0356  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.74  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  212-213 deg C
    VP  (exp database):  1.00E+00 mm Hg (1.33E+002 Pa) at 68 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  175.4
       log Kow used: 3.64 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  220.78 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.47E-005  atm-m3/mole  (5.54E+000 Pa-m3/mole)
   Group Method:   1.12E-004  atm-m3/mole  (1.13E+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:  4.227E-005 atm-m3/mole  (4.283E+000 Pa-m3/mole)
      VP:   0.0356 mm Hg (source: MPBPVP)
      WS:   175 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.64  (KowWin est)
  Log Kaw used:  -2.650  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.290
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8309
   Biowin2 (Non-Linear Model)     :   0.8675
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0093  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7488  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5493
   Biowin6 (MITI Non-Linear Model):   0.7244
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5284
 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):  4.31 Pa (0.0323 mm Hg)
  Log Koa (Koawin est  ): 6.290
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.97E-007 
       Octanol/air (Koa) model:  4.79E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.52E-005 
       Mackay model           :  5.57E-005 
       Octanol/air (Koa) model:  3.83E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.6361 E-12 cm3/molecule-sec
      Half-Life =     0.684 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.209 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.04E-005 (Junge-Pankow, Mackay avg)
      3.83E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  94.15  L/kg (MCI method)
      Log Koc:  1.974       (MCI method)
      Koc    :  336.6  L/kg (Kow method)
      Log Koc:  2.527       (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 = 2.069 (BCF = 117.2 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4118 days (HL = 0.3874 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.082 (BCF = 120.7)
   Log BAF Arnot-Gobas method (upper trophic) = 2.082 (BAF = 120.7)
       log Kow used: 3.64 (estimated)

 Volatilization from Water:
    Henry LC:  5.47E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      14.75  hours
    Half-Life from Model Lake :      266.4  hours   (11.1 days)

 Removal In Wastewater Treatment:
    Total removal:              18.80  percent
    Total biodegradation:        0.21  percent
    Total sludge adsorption:    16.21  percent
    Total to Air:                2.39  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.95            16.4         1000       
   Water     26.8            360          1000       
   Soil      71.1            720          1000       
   Sediment  0.151           3.24e+003    0          
     Persistence Time: 402 hr