CAS Number: 78053-99-3
SMILES : CCCCCC1CCC(O1)O
CHEM   : 5-pentyltetrahydro-2-furanol
MOL FOR: C9 H18 O2 
MOL WT : 158.24
------------------------------ EPI SUMMARY (v4.00) --------------------------
 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 v1.67 estimate) =  1.78
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  238.81  (Adapted Stein & Brown method)
    Melting Pt (deg C):  18.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00666  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.889  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6804
       log Kow used: 1.78 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  13687 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.27E-008  atm-m3/mole  (1.29E-003 Pa-m3/mole)
   Group Method:   5.73E-007  atm-m3/mole  (5.81E-002 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:  2.038E-007 atm-m3/mole  (2.065E-002 Pa-m3/mole)
      VP:   0.00666 mm Hg (source: MPBPVP)
      WS:   6.8E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.78  (KowWin est)
  Log Kaw used:  -6.285  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.065
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5920
   Biowin2 (Non-Linear Model)     :   0.5729
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2991  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0082  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6664
   Biowin6 (MITI Non-Linear Model):   0.6912
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2571
 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):  0.841 Pa (0.00631 mm Hg)
  Log Koa (Koawin est  ): 8.065
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.57E-006 
       Octanol/air (Koa) model:  2.85E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000129 
       Mackay model           :  0.000285 
       Octanol/air (Koa) model:  0.00228 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  51.5673 E-12 cm3/molecule-sec
      Half-Life =     0.207 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.489 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.000207 (Junge-Pankow, Mackay avg)
      0.00228 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  15.37  L/kg (MCI method)
      Log Koc:  1.187       (MCI method)
      Koc    :  25.56  L/kg (Kow method)
      Log Koc:  1.408       (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 v3.00):
   Log BCF from regression-based method = 0.842 (BCF = 6.947 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8867 days (HL = 0.1298 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.765 (BCF = 5.823)
   Log BAF Arnot-Gobas method (upper trophic) = 0.765 (BAF = 5.823)
       log Kow used: 1.78 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.27E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.799E+004  hours   (2416 days)
    Half-Life from Model Lake : 6.328E+005  hours   (2.636E+004 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.09  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.99  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       0.279           4.98         1000       
   Water     29.3            208          1000       
   Soil      70.3            416          1000       
   Sediment  0.0675          1.87e+003    0          
     Persistence Time: 350 hr