CAS Number: 23418-38-4
SMILES : OC(C)(CCC)CCCCC
CHEM   : 4-NONANOL, 4-METHYL-
MOL FOR: C10 H22 O1 
MOL WT : 158.29
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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 v1.68 estimate) =  3.68
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  204.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -0.76  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0551  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  7.34  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  163.5
       log Kow used: 3.68 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  193.47 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    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:   8.29E-005  atm-m3/mole  (8.40E+000 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:  7.019E-005 atm-m3/mole  (7.112E+000 Pa-m3/mole)
      VP:   0.0551 mm Hg (source: MPBPVP)
      WS:   164 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.68  (KowWin est)
  Log Kaw used:  -2.650  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.330
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5967
   Biowin2 (Non-Linear Model)     :   0.7071
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9356  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7350  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6066
   Biowin6 (MITI Non-Linear Model):   0.7292
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1013
 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):  6.61 Pa (0.0496 mm Hg)
  Log Koa (Koawin est  ): 6.330
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.54E-007 
       Octanol/air (Koa) model:  5.25E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.64E-005 
       Mackay model           :  3.63E-005 
       Octanol/air (Koa) model:  4.2E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.8461 E-12 cm3/molecule-sec
      Half-Life =     0.720 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.645 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      2.63E-005 (Junge-Pankow, Mackay avg)
      4.2E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  89.46  L/kg (MCI method)
      Log Koc:  1.952       (MCI method)
      Koc    :  354.1  L/kg (Kow method)
      Log Koc:  2.549       (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 v3.01):
   Log BCF from regression-based method = 2.093 (BCF = 123.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.1969 days (HL = 0.6355 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.242 (BCF = 174.5)
   Log BAF Arnot-Gobas method (upper trophic) = 2.242 (BAF = 174.5)
       log Kow used: 3.68 (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:              19.94  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    17.37  percent
    Total to Air:                2.35  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.05            17.3         1000       
   Water     27              360          1000       
   Soil      70.8            720          1000       
   Sediment  0.147           3.24e+003    0          
     Persistence Time: 401 hr