CAS Number: 9003-28-5
SMILES : CCC=C
CHEM   : 
MOL FOR: C4 H8 
MOL WT : 56.11
------------------------------ 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) =  2.17
    Log Kow (Exper. database match) =  2.40
       Exper. Ref:  HANSCH,C ET AL. (1995)
    Log Kow (Exper. database match) =  2.40
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  17.57  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -121.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.86E+003  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.48E+005  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -145 deg C
    BP  (exp database):  -1.3 deg C
    VP  (exp database):  2.25E+03 mm Hg (3.00E+005 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  354.8
       log Kow used: 2.40 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  221 mg/L (25 deg C)
        Exper. Ref:  MCAULIFFE,C (1966)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  278 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.03E-001  atm-m3/mole  (2.06E+004 Pa-m3/mole)
   Group Method:   2.68E-001  atm-m3/mole  (2.72E+004 Pa-m3/mole)
   Exper Database: 2.33E-01  atm-m3/mole  (2.36E+004 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:  1.581E-001 atm-m3/mole  (1.602E+004 Pa-m3/mole)
      VP:   1.86E+003 mm Hg (source: MPBPVP)
      WS:   355 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.40  (exp database)
  Log Kaw used:  0.979  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.421
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8293
   Biowin2 (Non-Linear Model)     :   0.9830
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3735  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0359  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6136
   Biowin6 (MITI Non-Linear Model):   0.8085
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2442
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.4394
     BioHC Half-Life (days)     :   2.7502
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  3E+005 Pa (2.25E+003 mm Hg)
  Log Koa (Koawin est  ): 1.421
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1E-011 
       Octanol/air (Koa) model:  6.47E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.61E-010 
       Mackay model           :  8E-010 
       Octanol/air (Koa) model:  5.18E-010 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.4013 E-12 cm3/molecule-sec
      Half-Life =     0.390 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.684 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):
      5.81E-010 (Junge-Pankow, Mackay avg)
      5.18E-010 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  39.6  L/kg (MCI method)
      Log Koc:  1.598       (MCI method)
      Koc    :  120.9  L/kg (Kow method)
      Log Koc:  2.083       (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 v3.01):
   Log BCF from regression-based method = 1.251 (BCF = 17.8 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.3434 days (HL = 0.4536 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.369 (BCF = 23.39)
   Log BAF Arnot-Gobas method (upper trophic) = 1.369 (BAF = 23.39)
       log Kow used: 2.40 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.233 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.7663  hours   (45.98 min)
    Half-Life from Model Lake :      71.17  hours   (2.965 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.91  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.85  percent
    Total to Air:               98.03  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       11.4            6.16         1000       
   Water     86.4            208          1000       
   Soil      1.95            416          1000       
   Sediment  0.272           1.87e+003    0          
     Persistence Time: 56.5 hr