CAS Number: 115-07-1
SMILES : C(=C)C
CHEM   : 1-Propene
MOL FOR: C3 H6 
MOL WT : 42.08
------------------------------ 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) =  1.68
    Log Kow (Exper. database match) =  1.77
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  -9.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -135.38  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.04E+003  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  9.39E+005  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -185 deg C
    BP  (exp database):  -48 deg C
    VP  (exp database):  8.69E+03 mm Hg (1.16E+006 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1162
       log Kow used: 1.77 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  200 mg/L (25 deg C)
        Exper. Ref:  MCAULIFFE,C (1966)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  717.99 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.53E-001  atm-m3/mole  (1.55E+004 Pa-m3/mole)
   Group Method:   1.58E-001  atm-m3/mole  (1.60E+004 Pa-m3/mole)
   Exper Database: 1.96E-01  atm-m3/mole  (1.99E+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:  3.621E-002 atm-m3/mole  (3.669E+003 Pa-m3/mole)
      VP:   7.04E+003 mm Hg (source: MPBPVP)
      WS:   1.16E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.77  (exp database)
  Log Kaw used:  0.904  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  0.866
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7275
   Biowin2 (Non-Linear Model)     :   0.9177
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1062  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7870  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6059
   Biowin6 (MITI Non-Linear Model):   0.8047
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5359
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   0.3730
     BioHC Half-Life (days)     :   2.3603
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.16E+006 Pa (8.69E+003 mm Hg)
  Log Koa (Koawin est  ): 0.866
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.59E-012 
       Octanol/air (Koa) model:  1.8E-012 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.35E-011 
       Mackay model           :  2.07E-010 
       Octanol/air (Koa) model:  1.44E-010 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.4360 E-12 cm3/molecule-sec
      Half-Life =     0.405 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.855 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):
      1.5E-010 (Junge-Pankow, Mackay avg)
      1.44E-010 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  21.73  L/kg (MCI method)
      Log Koc:  1.337       (MCI method)
      Koc    :  34.34  L/kg (Kow method)
      Log Koc:  1.536       (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 = 0.835 (BCF = 6.837 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5593 days (HL = 0.2758 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.806 (BCF = 6.398)
   Log BAF Arnot-Gobas method (upper trophic) = 0.806 (BAF = 6.398)
       log Kow used: 1.77 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.196 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:     0.6639  hours   (39.83 min)
    Half-Life from Model Lake :      61.64  hours   (2.568 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.70  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     0.41  percent
    Total to Air:               98.27  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       10.7            6.97         1000       
   Water     87.7            360          1000       
   Soil      1.44            720          1000       
   Sediment  0.24            3.24e+003    0          
     Persistence Time: 70.2 hr