CAS Number: 58936-30-4
SMILES : CCCCC1C(O1)C=O
CHEM   : (2S,3R)-3-butyloxirane-2-carbaldehyde
MOL FOR: C7 H12 O2 
MOL WT : 128.17
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  1.77
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  179.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -15.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.01  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  134  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2858
       log Kow used: 1.77 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  56043 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)
       Epoxides, mono
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.43E-006  atm-m3/mole  (2.47E-001 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  5.960E-005 atm-m3/mole  (6.039E+000 Pa-m3/mole)
      VP:   1.01 mm Hg (source: MPBPVP)
      WS:   2.86E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.77  (KowWin est)
  Log Kaw used:  -4.003  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.773
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7322
   Biowin2 (Non-Linear Model)     :   0.9989
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2279  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1188  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9172
   Biowin6 (MITI Non-Linear Model):   0.9249
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4610
 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):  122 Pa (0.917 mm Hg)
  Log Koa (Koawin est  ): 5.773
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.45E-008 
       Octanol/air (Koa) model:  1.46E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.86E-007 
       Mackay model           :  1.96E-006 
       Octanol/air (Koa) model:  1.16E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.2558 E-12 cm3/molecule-sec
      Half-Life =     0.407 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.889 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.42E-006 (Junge-Pankow, Mackay avg)
      1.16E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  2.553  L/kg (MCI method)
      Log Koc:  0.407       (MCI method)
      Koc    :  38.39  L/kg (Kow method)
      Log Koc:  1.584       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  9.708E-006  L/mol-sec
  Ka Half-Life at pH 7: 2.262E+004  years  
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 0.837 (BCF = 6.874 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7204 days (HL = 0.1904 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.788 (BCF = 6.144)
   Log BAF Arnot-Gobas method (upper trophic) = 0.788 (BAF = 6.144)
       log Kow used: 1.77 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.43E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      273.9  hours   (11.41 days)
    Half-Life from Model Lake :       3083  hours   (128.5 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.22  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.99  percent
    Total to Air:                0.14  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.28            9.78         1000       
   Water     45.2            360          1000       
   Soil      53.4            720          1000       
   Sediment  0.0876          3.24e+003    0          
     Persistence Time: 348 hr