This page contains the EPI System Summary only.
For complete control of this information -
Download the free EPI SuiteTM v4.0 program : here
To Datasheet

CAS Number: 3194-17-0
SMILES : CCCCC(=O)c1ccco1
CHEM   : 1-furan-2-ylpentan-1-one
MOL FOR: C9 H12 O2 
MOL WT : 152.19
------------------------------ 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) =  2.27
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  214.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  17.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.171  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  22.8  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  856.6
       log Kow used: 2.27 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2084 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   2.29E-005  atm-m3/mole  (2.32E+000 Pa-m3/mole)
   Group Method:   Incomplete
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  3.998E-005 atm-m3/mole  (4.050E+000 Pa-m3/mole)
      VP:   0.171 mm Hg (source: MPBPVP)
      WS:   857 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.27  (KowWin est)
  Log Kaw used:  -3.029  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.299
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7903
   Biowin2 (Non-Linear Model)     :   0.9036
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1387  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8750  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5504
   Biowin6 (MITI Non-Linear Model):   0.6533
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1614
 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):  21.1 Pa (0.158 mm Hg)
  Log Koa (Koawin est  ): 5.299
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.42E-007 
       Octanol/air (Koa) model:  4.89E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.14E-006 
       Mackay model           :  1.14E-005 
       Octanol/air (Koa) model:  3.91E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  43.5775 E-12 cm3/molecule-sec
      Half-Life =     0.245 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.945 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      8.27E-006 (Junge-Pankow, Mackay avg)
      3.91E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  180.2  L/kg (MCI method)
      Log Koc:  2.256       (MCI method)
      Koc    :  237.8  L/kg (Kow method)
      Log Koc:  2.376       (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 = 0.579 (BCF = 3.792 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.6162 days (HL = 0.242 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.210 (BCF = 16.23)
   Log BAF Arnot-Gobas method (upper trophic) = 1.210 (BAF = 16.23)
       log Kow used: 2.27 (estimated)
 
 Volatilization from Water:
    Henry LC:  2.29E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       32.8  hours   (1.367 days)
    Half-Life from Model Lake :      461.3  hours   (19.22 days)
 
 Removal In Wastewater Treatment:
    Total removal:               3.80  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.46  percent
    Total to Air:                1.24  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.659           5.89         1000       
   Water     25.8            360          1000       
   Soil      73.3            720          1000       
   Sediment  0.228           3.24e+003    0          
     Persistence Time: 434 hr