CAS Num: 000057-55-6
SMILES : OCC(O)C
CHEM   : 1,2-Propanediol
MOL FOR: C3 H8 O2 
MOL WT : 76.10
------------------------------ 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) =  -0.78
    Log Kow (Exper. database match) =  -0.92
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  155.15  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -33.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.111  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  14.8  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -60 deg C
    BP  (exp database):  187.6 deg C
    VP  (exp database):  1.29E-01 mm Hg (1.72E+001 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.111e+005
       log Kow used: -0.92 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.74E-007  atm-m3/mole  (1.76E-002 Pa-m3/mole)
   Group Method:   1.31E-010  atm-m3/mole  (1.33E-005 Pa-m3/mole)
   Exper Database: 1.29E-08  atm-m3/mole  (1.31E-003 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:  1.370E-008 atm-m3/mole  (1.388E-003 Pa-m3/mole)
      VP:   0.111 mm Hg (source: MPBPVP)
      WS:   8.11E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.92  (exp database)
  Log Kaw used:  -6.278  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.358
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0288
   Biowin2 (Non-Linear Model)     :   0.9847
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.3509  (days-weeks  )
   Biowin4 (Primary Survey Model) :   3.9968  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8072
   Biowin6 (MITI Non-Linear Model):   0.9362
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8822
 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):  17.2 Pa (0.129 mm Hg)
  Log Koa (Koawin est  ): 5.358
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.74E-007 
       Octanol/air (Koa) model:  5.6E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.3E-006 
       Mackay model           :  1.4E-005 
       Octanol/air (Koa) model:  4.48E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.8199 E-12 cm3/molecule-sec
      Half-Life =     0.834 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.012 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      1.01E-005 (Junge-Pankow, Mackay avg)
      4.48E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1  L/kg (MCI method)
      Log Koc:  0.000       (MCI method)
      Koc    :  0.392  L/kg (Kow method)
      Log Koc:  -0.407      (Kow method)
       Experimental Log Koc:  0.36  (database)

 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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -2.0600 days (HL = 0.008709 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.048 (BCF = 0.8963)
   Log BAF Arnot-Gobas method (upper trophic) = -0.048 (BAF = 0.8963)
       log Kow used: -0.92 (expkow database)

 Volatilization from Water:
    Henry LC:  1.29E-008 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 3.959E+004  hours   (1650 days)
    Half-Life from Model Lake :  4.32E+005  hours   (1.8E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  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       0.397           21.4         1000       
   Water     34.5            208          1000       
   Soil      65              416          1000       
   Sediment  0.061           1.87e+003    0          
     Persistence Time: 364 hr