CAS Num: 000589-55-9
SMILES : OC(CCC)CCC
CHEM   : 4-Heptanol
MOL FOR: C7 H16 O1 
MOL WT : 116.21
------------------------------ 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) =  2.24
    Log Kow (Exper. database match) =  2.22
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  160.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -39.26  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.964  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  129  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -41.2 deg C
    BP  (exp database):  156 deg C
    VP  (exp database):  9.89E-01 mm Hg (1.32E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4260
       log Kow used: 2.22 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4700 mg/L (25 deg C)
        Exper. Ref:  BARTON,AFM (1984)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3949.5 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.34E-005  atm-m3/mole  (2.37E+000 Pa-m3/mole)
   Group Method:   4.55E-005  atm-m3/mole  (4.62E+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:  3.460E-005 atm-m3/mole  (3.506E+000 Pa-m3/mole)
      VP:   0.964 mm Hg (source: MPBPVP)
      WS:   4.26E+003 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.22  (exp database)
  Log Kaw used:  -3.019  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.239
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8510
   Biowin2 (Non-Linear Model)     :   0.9225
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1023  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8095  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6754
   Biowin6 (MITI Non-Linear Model):   0.8620
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7478
 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):  132 Pa (0.989 mm Hg)
  Log Koa (Koawin est  ): 5.239
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.28E-008 
       Octanol/air (Koa) model:  4.26E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.22E-007 
       Mackay model           :  1.82E-006 
       Octanol/air (Koa) model:  3.4E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.8709 E-12 cm3/molecule-sec
      Half-Life =     0.674 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.087 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.32E-006 (Junge-Pankow, Mackay avg)
      3.4E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  18.49  L/kg (MCI method)
      Log Koc:  1.267       (MCI method)
      Koc    :  55.16  L/kg (Kow method)
      Log Koc:  1.742       (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 = 1.132 (BCF = 13.54 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8186 days (HL = 0.1518 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.122 (BCF = 13.24)
   Log BAF Arnot-Gobas method (upper trophic) = 1.122 (BAF = 13.24)
       log Kow used: 2.22 (expkow database)

 Volatilization from Water:
    Henry LC:  2.34E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      28.07  hours   (1.17 days)
    Half-Life from Model Lake :      396.6  hours   (16.53 days)

 Removal In Wastewater Treatment:
    Total removal:               3.75  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.39  percent
    Total to Air:                1.27  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.09            16.2         1000       
   Water     36.1            360          1000       
   Soil      61.7            720          1000       
   Sediment  0.0941          3.24e+003    0          
     Persistence Time: 363 hr