CAS Number: 25584-83-2
SMILES : O=C(C=C)OC(CO)C
CHEM   : 2-Propenoic acid, monoester with 1,2-propanediol
MOL FOR: C6 H10 O3 
MOL WT : 130.14
------------------------------ 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) =  0.17
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  192.20  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -15.41  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.118  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  15.7  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -30 deg C
    BP  (exp database):  77 @ 5 mm Hg deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  2.12e+005
       log Kow used: 0.17 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.0433e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Acrylates
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.96E-009  atm-m3/mole  (6.04E-004 Pa-m3/mole)
   Group Method:   1.69E-009  atm-m3/mole  (1.71E-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:  9.531E-008 atm-m3/mole  (9.657E-003 Pa-m3/mole)
      VP:   0.118 mm Hg (source: MPBPVP)
      WS:   2.12E+005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.17  (KowWin est)
  Log Kaw used:  -6.613  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.783
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0185
   Biowin2 (Non-Linear Model)     :   0.9983
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2117  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0184  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8476
   Biowin6 (MITI Non-Linear Model):   0.9342
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7007
 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):  14 Pa (0.105 mm Hg)
  Log Koa (Koawin est  ): 6.783
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.14E-007 
       Octanol/air (Koa) model:  1.49E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.74E-006 
       Mackay model           :  1.71E-005 
       Octanol/air (Koa) model:  0.000119 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.3511 E-12 cm3/molecule-sec
      Half-Life =     0.616 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.397 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):
      1.24E-005 (Junge-Pankow, Mackay avg)
      0.000119 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.498  L/kg (MCI method)
      Log Koc:  0.175       (MCI method)
      Koc    :  3.484  L/kg (Kow method)
      Log Koc:  0.542       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  1.834E-002  L/mol-sec
  Kb Half-Life at pH 8:       1.198  years  
  Kb Half-Life at pH 7:      11.975  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)
 
 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) = -2.2655 days (HL = 0.005426 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.036 (BCF = 0.9215)
   Log BAF Arnot-Gobas method (upper trophic) = -0.036 (BAF = 0.9215)
       log Kow used: 0.17 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.69E-009 atm-m3/mole  (estimated by Group SAR Method)
    Half-Life from Model River: 3.952E+005  hours   (1.647E+004 days)
    Half-Life from Model Lake : 4.312E+006  hours   (1.796E+005 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0381          13.5         1000       
   Water     37.4            360          1000       
   Soil      62.5            720          1000       
   Sediment  0.0707          3.24e+003    0          
     Persistence Time: 582 hr