CAS Num: 000097-95-0
SMILES : OCC(CC)CC
CHEM   : 1-Butanol, 2-ethyl-
MOL FOR: C6 H14 O1 
MOL WT : 102.18
------------------------------ 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) =  1.75

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  145.86  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -49.23  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.6  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  213  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  <-15 deg C
    BP  (exp database):  147 deg C
    VP  (exp database):  1.53E+00 mm Hg (2.04E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.195e+004
       log Kow used: 1.75 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4000 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11959 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.76E-005  atm-m3/mole  (1.78E+000 Pa-m3/mole)
   Group Method:   2.34E-005  atm-m3/mole  (2.37E+000 Pa-m3/mole)
   Exper Database: 5.14E-05  atm-m3/mole  (5.21E+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:  1.800E-005 atm-m3/mole  (1.824E+000 Pa-m3/mole)
      VP:   1.6 mm Hg (source: MPBPVP)
      WS:   1.2E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.75  (KowWin est)
  Log Kaw used:  -2.677  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.427
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8576
   Biowin2 (Non-Linear Model)     :   0.9356
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1333  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8298  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6677
   Biowin6 (MITI Non-Linear Model):   0.8591
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7218
 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):  204 Pa (1.53 mm Hg)
  Log Koa (Koawin est  ): 4.427
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.47E-008 
       Octanol/air (Koa) model:  6.56E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.31E-007 
       Mackay model           :  1.18E-006 
       Octanol/air (Koa) model:  5.25E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.4032 E-12 cm3/molecule-sec
      Half-Life =     1.028 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.338 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      8.54E-007 (Junge-Pankow, Mackay avg)
      5.25E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10.62  L/kg (MCI method)
      Log Koc:  1.026       (MCI method)
      Koc    :  30.31  L/kg (Kow method)
      Log Koc:  1.482       (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 = 0.821 (BCF = 6.629 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9513 days (HL = 0.1119 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.728 (BCF = 5.348)
   Log BAF Arnot-Gobas method (upper trophic) = 0.728 (BAF = 5.348)
       log Kow used: 1.75 (estimated)

 Volatilization from Water:
    Henry LC:  5.14E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      12.55  hours
    Half-Life from Model Lake :      221.6  hours   (9.234 days)

 Removal In Wastewater Treatment:
    Total removal:               4.70  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.93  percent
    Total to Air:                2.68  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.87            24.7         1000       
   Water     39.6            360          1000       
   Soil      56.5            720          1000       
   Sediment  0.0901          3.24e+003    0          
     Persistence Time: 315 hr