CAS Num: 000871-22-7
SMILES : O(CCCC)CCOCCCC
CHEM   : BUTANE, 1,1'-[ETHYLIDENEBIS(OXY)]BIS-
MOL FOR: C10 H22 O2 
MOL WT : 174.29
------------------------------ 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) =  2.74
    Log Kow (Exper. database match) =  2.48
       Exper. Ref:  FUNASAKI,N ET AL. (1984)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  207.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -9.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.442  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  59  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -69.1 deg C
    BP  (exp database):  203.3 deg C
    VP  (exp database):  9.00E-02 mm Hg (1.20E+001 Pa) at 20 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  447.2
       log Kow used: 2.48 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2000 mg/L (20 deg C)
        Exper. Ref:  EPA

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1261.8 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.33E-005  atm-m3/mole  (7.43E+000 Pa-m3/mole)
   Group Method:   7.73E-006  atm-m3/mole  (7.84E-001 Pa-m3/mole)
   Exper Database: 1.03E-05  atm-m3/mole  (1.04E+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:  2.267E-004 atm-m3/mole  (2.297E+001 Pa-m3/mole)
      VP:   0.442 mm Hg (source: MPBPVP)
      WS:   447 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.48  (exp database)
  Log Kaw used:  -3.376  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.856
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1867
   Biowin2 (Non-Linear Model)     :   0.0668
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3934  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1149  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5927
   Biowin6 (MITI Non-Linear Model):   0.6802
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2651
 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):  12 Pa (0.09 mm Hg)
  Log Koa (Koawin est  ): 5.856
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.5E-007 
       Octanol/air (Koa) model:  1.76E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.03E-006 
       Mackay model           :  2E-005 
       Octanol/air (Koa) model:  1.41E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  38.7051 E-12 cm3/molecule-sec
      Half-Life =     0.276 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.316 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.45E-005 (Junge-Pankow, Mackay avg)
      1.41E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  87.03  L/kg (MCI method)
      Log Koc:  1.940       (MCI method)
      Koc    :  130.5  L/kg (Kow method)
      Log Koc:  2.116       (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 = 1.303 (BCF = 20.1 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5163 days (HL = 0.3046 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.401 (BCF = 25.16)
   Log BAF Arnot-Gobas method (upper trophic) = 1.401 (BAF = 25.16)
       log Kow used: 2.48 (expkow database)

 Volatilization from Water:
    Henry LC:  1.03E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      76.39  hours   (3.183 days)
    Half-Life from Model Lake :      944.1  hours   (39.34 days)

 Removal In Wastewater Treatment:
    Total removal:               3.60  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.93  percent
    Total to Air:                0.57  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.13            6.63         1000       
   Water     29.8            208          1000       
   Soil      68.9            416          1000       
   Sediment  0.139           1.87e+003    0          
     Persistence Time: 268 hr