CAS Num: 003777-71-7
SMILES : o1cccc1CCCCCCC
CHEM   : Furan, 2-heptyl-
MOL FOR: C11 H18 O1 
MOL WT : 166.27
------------------------------ 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) =  4.86

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  215.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  4.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.163  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  21.8  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.559
       log Kow used: 4.86 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.57 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   3.25E-002  atm-m3/mole  (3.29E+003 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:  7.822E-003 atm-m3/mole  (7.926E+002 Pa-m3/mole)
      VP:   0.163 mm Hg (source: MPBPVP)
      WS:   4.56 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.86  (KowWin est)
  Log Kaw used:  0.123  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.737
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8315
   Biowin2 (Non-Linear Model)     :   0.9556
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0552  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8084  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4340
   Biowin6 (MITI Non-Linear Model):   0.5321
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1607
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  20.1 Pa (0.151 mm Hg)
  Log Koa (Koawin est  ): 4.737
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.49E-007 
       Octanol/air (Koa) model:  1.34E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.38E-006 
       Mackay model           :  1.19E-005 
       Octanol/air (Koa) model:  1.07E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 108.7535 E-12 cm3/molecule-sec
      Half-Life =     0.098 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.180 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi):
      8.65E-006 (Junge-Pankow, Mackay avg)
      1.07E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4921  L/kg (MCI method)
      Log Koc:  3.692       (MCI method)
      Koc    :  1.65E+004  L/kg (Kow method)
      Log Koc:  4.218       (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 = 2.871 (BCF = 743.7 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.2130 days (HL = 1.633 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.792 (BCF = 618.9)
   Log BAF Arnot-Gobas method (upper trophic) = 2.796 (BAF = 625.1)
       log Kow used: 4.86 (estimated)

 Volatilization from Water:
    Henry LC:  0.0325 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.339  hours
    Half-Life from Model Lake :      122.7  hours   (5.114 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.42  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    49.09  percent
    Total to Air:               46.11  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.937           2.36         1000       
   Water     26.4            360          1000       
   Soil      68.7            720          1000       
   Sediment  3.99            3.24e+003    0          
     Persistence Time: 233 hr