CAS Number: 42134-50-9
SMILES : CCCCCC1OC1C=O
CHEM   : 3-pentyloxirane-2-carbaldehyde
MOL FOR: C8 H14 O2 
MOL WT : 142.20
------------------------------ 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) =  2.26
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  199.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -4.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.37  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  49.4  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  954.2
       log Kow used: 2.26 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  18055 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 :   3.23E-006  atm-m3/mole  (3.27E-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:  7.255E-005 atm-m3/mole  (7.351E+000 Pa-m3/mole)
      VP:   0.37 mm Hg (source: MPBPVP)
      WS:   954 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.26  (KowWin est)
  Log Kaw used:  -3.879  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.139
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7255
   Biowin2 (Non-Linear Model)     :   0.9986
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1969  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0985  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9249
   Biowin6 (MITI Non-Linear Model):   0.9266
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4870
 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):  45.2 Pa (0.339 mm Hg)
  Log Koa (Koawin est  ): 6.139
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.64E-008 
       Octanol/air (Koa) model:  3.38E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.4E-006 
       Mackay model           :  5.31E-006 
       Octanol/air (Koa) model:  2.7E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.6689 E-12 cm3/molecule-sec
      Half-Life =     0.387 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.639 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.85E-006 (Junge-Pankow, Mackay avg)
      2.7E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  71.66  L/kg (Kow method)
      Log Koc:  1.855       (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 = 1.161 (BCF = 14.5 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5812 days (HL = 0.2623 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.214 (BCF = 16.37)
   Log BAF Arnot-Gobas method (upper trophic) = 1.214 (BAF = 16.37)
       log Kow used: 2.26 (estimated)
 
 Volatilization from Water:
    Henry LC:  3.23E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      217.4  hours   (9.057 days)
    Half-Life from Model Lake :       2471  hours   (103 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.75  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.47  percent
    Total to Air:                0.18  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.14            9.28         1000       
   Water     39.8            360          1000       
   Soil      58.9            720          1000       
   Sediment  0.0897          3.24e+003    0          
     Persistence Time: 371 hr