CAS Number: 79-10-7
SMILES : O=C(O)C=C
CHEM   : 2-Propenoic acid
MOL FOR: C3 H4 O2 
MOL WT : 72.06
------------------------------ EPI SUMMARY (v4.10) --------------------------
 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) =  0.44
    Log Kow (Exper. database match) =  0.35
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  143.35  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -10.35  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.02  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  802  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  13.5 deg C
    BP  (exp database):  141.2 deg C
    VP  (exp database):  3.97E+00 mm Hg (5.29E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.68e+005
       log Kow used: 0.35 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L ( deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  53468 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics-acid
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.89E-007  atm-m3/mole  (2.93E-002 Pa-m3/mole)
   Group Method:   1.17E-007  atm-m3/mole  (1.19E-002 Pa-m3/mole)
   Exper Database: 3.70E-07  atm-m3/mole  (3.75E-002 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:  3.398E-006 atm-m3/mole  (3.443E-001 Pa-m3/mole)
      VP:   6.02 mm Hg (source: MPBPVP)
      WS:   1.68E+005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.35  (exp database)
  Log Kaw used:  -4.820  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.170
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7859
   Biowin2 (Non-Linear Model)     :   0.9327
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4045  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1293  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6975
   Biowin6 (MITI Non-Linear Model):   0.8410
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8023
 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):  529 Pa (3.97 mm Hg)
  Log Koa (Koawin est  ): 5.170
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.67E-009 
       Octanol/air (Koa) model:  3.63E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.05E-007 
       Mackay model           :  4.53E-007 
       Octanol/air (Koa) model:  2.9E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.7250 E-12 cm3/molecule-sec
      Half-Life =     1.100 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.198 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      3.29E-007 (Junge-Pankow, Mackay avg)
      2.9E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.44  L/kg (MCI method)
      Log Koc:  0.158       (MCI method)
      Koc    :  2.235  L/kg (Kow method)
      Log Koc:  0.349       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9375 days (HL = 0.1155 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.037 (BCF = 1.089)
   Log BAF Arnot-Gobas method (upper trophic) = 0.037 (BAF = 1.089)
       log Kow used: 0.35 (expkow database)
 
 Volatilization from Water:
    Henry LC:  3.7E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:       1344  hours   (56.01 days)
    Half-Life from Model Lake : 1.473E+004  hours   (613.9 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.88  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.8             22.6         1000       
   Water     40              208          1000       
   Soil      57.1            416          1000       
   Sediment  0.0714          1.87e+003    0          
     Persistence Time: 262 hr