CAS Num: 000071-23-8
SMILES : OCCC
CHEM   : 1-Propanol
MOL FOR: C3 H8 O1 
MOL WT : 60.10
------------------------------ 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) =  0.35
    Log Kow (Exper. database match) =  0.25
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  89.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -74.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  23.2  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.09E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -126.1 deg C
    BP  (exp database):  97.2 deg C
    VP  (exp database):  2.10E+01 mm Hg (2.80E+003 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.715e+005
       log Kow used: 0.25 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (25 deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.714e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.52E-006  atm-m3/mole  (7.62E-001 Pa-m3/mole)
   Group Method:   6.89E-006  atm-m3/mole  (6.99E-001 Pa-m3/mole)
   Exper Database: 7.41E-06  atm-m3/mole  (7.51E-001 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:  6.757E-006 atm-m3/mole  (6.847E-001 Pa-m3/mole)
      VP:   23.2 mm Hg (source: MPBPVP)
      WS:   2.72E+005 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.25  (exp database)
  Log Kaw used:  -3.519  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.769
      Log Koa (experimental database):  3.710

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8777
   Biowin2 (Non-Linear Model)     :   0.9635
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2263  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8905  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7937
   Biowin6 (MITI Non-Linear Model):   0.9354
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9413
 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):  2.8E+003 Pa (21 mm Hg)
  Log Koa (Exp database): 3.710
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.07E-009 
       Octanol/air (Koa) model:  1.26E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.87E-008 
       Mackay model           :  8.57E-008 
       Octanol/air (Koa) model:  1.01E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.4770 E-12 cm3/molecule-sec
      Half-Life =     1.953 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    23.435 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.22E-008 (Junge-Pankow, Mackay avg)
      1.01E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1.904  L/kg (MCI method)
      Log Koc:  0.280       (MCI method)
      Koc    :  4.487  L/kg (Kow method)
      Log Koc:  0.652       (Kow method)
       Experimental Log Koc:  0.48  (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) = -1.3824 days (HL = 0.04146 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.005 (BCF = 1.011)
   Log BAF Arnot-Gobas method (upper trophic) = 0.005 (BAF = 1.011)
       log Kow used: 0.25 (expkow database)

 Volatilization from Water:
    Henry LC:  7.41E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      62.04  hours   (2.585 days)
    Half-Life from Model Lake :      741.9  hours   (30.91 days)

 Removal In Wastewater Treatment:
    Total removal:               2.26  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.42  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.29            46.4         1000       
   Water     44.9            360          1000       
   Soil      50.7            720          1000       
   Sediment  0.0857          3.24e+003    0          
     Persistence Time: 348 hr