CAS Num: 018720-66-6
SMILES : OC(CC)CCC(C)C
CHEM   : 3-Heptanol, 6-methyl-
MOL FOR: C8 H18 O1 
MOL WT : 130.23
------------------------------ 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) =  2.66

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  169.21  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -38.64  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.453  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  60.4  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1594
       log Kow used: 2.66 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1540 mg/L (25 deg C)
        Exper. Ref:  BEILSTEIN

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2154.1 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.10E-005  atm-m3/mole  (3.14E+000 Pa-m3/mole)
   Group Method:   7.73E-005  atm-m3/mole  (7.84E+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:  4.870E-005 atm-m3/mole  (4.934E+000 Pa-m3/mole)
      VP:   0.453 mm Hg (source: MPBPVP)
      WS:   1.59E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.66  (KowWin est)
  Log Kaw used:  -2.897  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.557
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8443
   Biowin2 (Non-Linear Model)     :   0.9070
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0713  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7893  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5340
   Biowin6 (MITI Non-Linear Model):   0.7145
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4764
 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):  53.9 Pa (0.404 mm Hg)
  Log Koa (Koawin est  ): 5.557
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.57E-008 
       Octanol/air (Koa) model:  8.85E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.01E-006 
       Mackay model           :  4.46E-006 
       Octanol/air (Koa) model:  7.08E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.2755 E-12 cm3/molecule-sec
      Half-Life =     0.619 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.430 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.23E-006 (Junge-Pankow, Mackay avg)
      7.08E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  28.35  L/kg (MCI method)
      Log Koc:  1.453       (MCI method)
      Koc    :  96.6  L/kg (Kow method)
      Log Koc:  1.985       (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 = 1.421 (BCF = 26.36 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6901 days (HL = 0.2041 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.475 (BCF = 29.86)
   Log BAF Arnot-Gobas method (upper trophic) = 1.475 (BAF = 29.86)
       log Kow used: 2.66 (estimated)

 Volatilization from Water:
    Henry LC:  3.1E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      22.72  hours
    Half-Life from Model Lake :      343.5  hours   (14.31 days)

 Removal In Wastewater Treatment:
    Total removal:               5.24  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.50  percent
    Total to Air:                1.64  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.94            14.9         1000       
   Water     33.4            360          1000       
   Soil      64.5            720          1000       
   Sediment  0.101           3.24e+003    0          
     Persistence Time: 371 hr