CAS Num: 002100-17-6
SMILES : O=CCCC=C
CHEM   : 4-Pentenal
MOL FOR: C5 H8 O1 
MOL WT : 84.12
------------------------------ 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) =  1.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  107.19  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -68.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  39.1  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  5.21E+003  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  99 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.284e+004
       log Kow used: 1.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  23061 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Aldehydes (Mono)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.18E-004  atm-m3/mole  (1.20E+001 Pa-m3/mole)
   Group Method:   5.35E-005  atm-m3/mole  (5.42E+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:  3.371E-004 atm-m3/mole  (3.415E+001 Pa-m3/mole)
      VP:   39.1 mm Hg (source: MPBPVP)
      WS:   1.28E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.17  (KowWin est)
  Log Kaw used:  -2.317  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.487
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9921
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0356  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9230  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9907
   Biowin6 (MITI Non-Linear Model):   0.9778
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7901
 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):  4.96E+003 Pa (37.2 mm Hg)
  Log Koa (Koawin est  ): 3.487
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.05E-010 
       Octanol/air (Koa) model:  7.53E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.18E-008 
       Mackay model           :  4.84E-008 
       Octanol/air (Koa) model:  6.03E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.5642 E-12 cm3/molecule-sec
      Half-Life =     0.207 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.489 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.200000 E-17 cm3/molecule-sec
      Half-Life =     0.955 Days (at 7E11 mol/cm3)
      Half-Life =     22.920 Hrs
   Fraction sorbed to airborne particulates (phi):
      3.51E-008 (Junge-Pankow, Mackay avg)
      6.03E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  3.268  L/kg (MCI method)
      Log Koc:  0.514       (MCI method)
      Koc    :  22.03  L/kg (Kow method)
      Log Koc:  1.343       (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 = 0.440 (BCF = 2.752 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8015 days (HL = 0.158 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.349 (BCF = 2.235)
   Log BAF Arnot-Gobas method (upper trophic) = 0.349 (BAF = 2.235)
       log Kow used: 1.17 (estimated)

 Volatilization from Water:
    Henry LC:  5.35E-005 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River:      10.97  hours
    Half-Life from Model Lake :      196.6  hours   (8.192 days)

 Removal In Wastewater Treatment:
    Total removal:               4.64  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  percent
    Total to Air:                2.78  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1               4.09         1000       
   Water     46.5            360          1000       
   Soil      52.4            720          1000       
   Sediment  0.0915          3.24e+003    0          
     Persistence Time: 273 hr