CAS Number: 26249-20-7
SMILES : CCC1OC1
CHEM   : Butane, epoxy-
MOL FOR: C4 H8 O1 
MOL WT : 72.11
------------------------------ 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) =  0.86
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  57.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -86.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  185  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.47E+004  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -150 deg C
    BP  (exp database):  63.3 deg C
    VP  (exp database):  1.80E+02 mm Hg (2.40E+004 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.465e+004
       log Kow used: 0.86 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  9.5e+004 mg/L (25 deg C)
        Exper. Ref:  BOGYO,DA ET AL. (1980)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  46148 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Epoxides, mono
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.12E-004  atm-m3/mole  (2.15E+001 Pa-m3/mole)
   Group Method:   1.73E-004  atm-m3/mole  (1.75E+001 Pa-m3/mole)
   Exper Database: 1.80E-04  atm-m3/mole  (1.82E+001 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:  7.121E-004 atm-m3/mole  (7.215E+001 Pa-m3/mole)
      VP:   185 mm Hg (source: MPBPVP)
      WS:   2.47E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.86  (KowWin est)
  Log Kaw used:  -2.133  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.993
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3659
   Biowin2 (Non-Linear Model)     :   0.1908
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0312  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7340  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5811
   Biowin6 (MITI Non-Linear Model):   0.7095
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4447
 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):  2.4E+004 Pa (180 mm Hg)
  Log Koa (Koawin est  ): 2.993
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.25E-010 
       Octanol/air (Koa) model:  2.42E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.51E-009 
       Mackay model           :  1E-008 
       Octanol/air (Koa) model:  1.93E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.8143 E-12 cm3/molecule-sec
      Half-Life =     5.895 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    70.743 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.26E-009 (Junge-Pankow, Mackay avg)
      1.93E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  9.907  L/kg (MCI method)
      Log Koc:  0.996       (MCI method)
      Koc    :  20.43  L/kg (Kow method)
      Log Koc:  1.310       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  7.206E-002  L/mol-sec
  Ka Half-Life at pH 7:       3.048  years  
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.1017 days (HL = 0.07912 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.169 (BCF = 1.476)
   Log BAF Arnot-Gobas method (upper trophic) = 0.169 (BAF = 1.476)
       log Kow used: 0.86 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00018 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      3.629  hours
    Half-Life from Model Lake :      110.8  hours   (4.616 days)
 
 Removal In Wastewater Treatment:
    Total removal:               9.83  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.66  percent
    Total to Air:                8.08  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       15.4            134          1000       
   Water     39.1            360          1000       
   Soil      45.4            720          1000       
   Sediment  0.0879          3.24e+003    0          
     Persistence Time: 256 hr