CAS Number: 107-19-7
SMILES : OCC#C
CHEM   : 2-Propyn-1-ol
MOL FOR: C3 H4 O1 
MOL WT : 56.06
------------------------------ 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) =  -0.42
    Log Kow (Exper. database match) =  -0.38
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  98.47  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -48.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  9.83  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  1.31E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -51.8 deg C
    BP  (exp database):  113.6 deg C
    VP  (exp database):  1.56E+01 mm Hg (2.08E+003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  9.355e+005
       log Kow used: -0.38 (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) =  3.1352e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Propargyl Alcohols
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   5.88E-007  atm-m3/mole  (5.95E-002 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 1.15E-06  atm-m3/mole  (1.17E-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:  7.751E-007 atm-m3/mole  (7.854E-002 Pa-m3/mole)
      VP:   9.83 mm Hg (source: MPBPVP)
      WS:   9.36E+005 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.38  (exp database)
  Log Kaw used:  -4.328  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.948
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8796
   Biowin2 (Non-Linear Model)     :   0.9655
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2352  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8963  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7559
   Biowin6 (MITI Non-Linear Model):   0.9122
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9948
 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):  2.08E+003 Pa (15.6 mm Hg)
  Log Koa (Koawin est  ): 3.948
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.44E-009 
       Octanol/air (Koa) model:  2.18E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.21E-008 
       Mackay model           :  1.15E-007 
       Octanol/air (Koa) model:  1.74E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.4090 E-12 cm3/molecule-sec
      Half-Life =     1.028 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.331 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.003000 E-17 cm3/molecule-sec
      Half-Life =   382.000 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      8.37E-008 (Junge-Pankow, Mackay avg)
      1.74E-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    :  2.011  L/kg (Kow method)
      Log Koc:  0.303       (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) = -1.8350 days (HL = 0.01462 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.041 (BCF = 0.9094)
   Log BAF Arnot-Gobas method (upper trophic) = -0.041 (BAF = 0.9094)
       log Kow used: -0.38 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.15E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:        382  hours   (15.91 days)
    Half-Life from Model Lake :       4230  hours   (176.2 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.91  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.07  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.44            24.6         1000       
   Water     44.8            360          1000       
   Soil      52.7            720          1000       
   Sediment  0.0855          3.24e+003    0          
     Persistence Time: 364 hr