CAS Num: 000071-41-0
SMILES : OCCCCC
CHEM   : 1-Pentanol
MOL FOR: C5 H12 O1 
MOL WT : 88.15
------------------------------ 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) =  1.33
    Log Kow (Exper. database match) =  1.51
       Exper. Ref:  SANGSTER (1994)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  136.95  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -49.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.65  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  353  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -78.9 deg C
    BP  (exp database):  137.9 deg C
    VP  (exp database):  2.20E+00 mm Hg (2.93E+002 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.089e+004
       log Kow used: 1.51 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2.2e+004 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  21200 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.33E-005  atm-m3/mole  (1.34E+000 Pa-m3/mole)
   Group Method:   1.38E-005  atm-m3/mole  (1.39E+000 Pa-m3/mole)
   Exper Database: 1.30E-05  atm-m3/mole  (1.32E+000 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:  1.471E-005 atm-m3/mole  (1.491E+000 Pa-m3/mole)
      VP:   2.65 mm Hg (source: MPBPVP)
      WS:   2.09E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.51  (exp database)
  Log Kaw used:  -3.275  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.785
      Log Koa (experimental database):  4.690

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9727
   Biowin2 (Non-Linear Model)     :   0.9912
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4627  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1191  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8091
   Biowin6 (MITI Non-Linear Model):   0.9383
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6755
 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):  293 Pa (2.2 mm Hg)
  Log Koa (Exp database): 4.690
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.02E-008 
       Octanol/air (Koa) model:  1.2E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.69E-007 
       Mackay model           :  8.18E-007 
       Octanol/air (Koa) model:  9.62E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.3031 E-12 cm3/molecule-sec
      Half-Life =     1.288 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.458 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.94E-007 (Junge-Pankow, Mackay avg)
      9.62E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  6.325  L/kg (MCI method)
      Log Koc:  0.801       (MCI method)
      Koc    :  22.33  L/kg (Kow method)
      Log Koc:  1.349       (Kow method)
       Experimental Log Koc:  0.7  (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 = 0.663 (BCF = 4.606 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9846 days (HL = 0.1036 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.546 (BCF = 3.516)
   Log BAF Arnot-Gobas method (upper trophic) = 0.546 (BAF = 3.516)
       log Kow used: 1.51 (expkow database)

 Volatilization from Water:
    Henry LC:  1.3E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      43.24  hours   (1.802 days)
    Half-Life from Model Lake :      550.5  hours   (22.94 days)

 Removal In Wastewater Treatment:
    Total removal:               2.69  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.87  percent
    Total to Air:                0.72  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.86            23.1         1000       
   Water     38.8            208          1000       
   Soil      57.3            416          1000       
   Sediment  0.0764          1.87e+003    0          
     Persistence Time: 239 hr