CAS Number: 5617-41-4
SMILES : C(CCCC1)(C1)CCCCCCC
CHEM   : Cyclohexane, heptyl-
MOL FOR: C13 H26 
MOL WT : 182.35
------------------------------ 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) =  6.54
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  233.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -3.51  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0598  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  7.98  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -30 deg C
    BP  (exp database):  244 deg C
    VP  (exp database):  4.00E-02 mm Hg (5.33E+000 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  0.04049
       log Kow used: 6.54 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.019176 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.85E+000  atm-m3/mole  (1.88E+005 Pa-m3/mole)
   Group Method:   2.62E+000  atm-m3/mole  (2.66E+005 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:  3.544E-001 atm-m3/mole  (3.591E+004 Pa-m3/mole)
      VP:   0.0598 mm Hg (source: MPBPVP)
      WS:   0.0405 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.54  (KowWin est)
  Log Kaw used:  1.879  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.661
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7692
   Biowin2 (Non-Linear Model)     :   0.9058
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0945  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8537  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5776
   Biowin6 (MITI Non-Linear Model):   0.7132
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0341
 Ready Biodegradability Prediction:   YES
 
 Hydrocarbon Biodegradation (BioHCwin v1.01):
     LOG BioHC Half-Life (days) :   1.2624
     BioHC Half-Life (days)     :  18.2958
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.33 Pa (0.04 mm Hg)
  Log Koa (Koawin est  ): 4.661
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.63E-007 
       Octanol/air (Koa) model:  1.12E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.03E-005 
       Mackay model           :  4.5E-005 
       Octanol/air (Koa) model:  9E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.0567 E-12 cm3/molecule-sec
      Half-Life =     0.561 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.735 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.27E-005 (Junge-Pankow, Mackay avg)
      9E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  8969  L/kg (MCI method)
      Log Koc:  3.953       (MCI method)
      Koc    :  4.739E+005  L/kg (Kow method)
      Log Koc:  5.676       (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 = 3.982 (BCF = 9593 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 0.9235 days (HL = 8.385 days)
   Log BCF Arnot-Gobas method (upper trophic) = 2.553 (BCF = 357.4)
   Log BAF Arnot-Gobas method (upper trophic) = 2.689 (BAF = 488.7)
       log Kow used: 6.54 (estimated)
 
 Volatilization from Water:
    Henry LC:  1.85 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.378  hours
    Half-Life from Model Lake :      128.3  hours   (5.344 days)
 
 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.40  percent
    Total biodegradation:        0.23  percent
    Total sludge adsorption:    62.55  percent
    Total to Air:               36.61  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       12.5            13.5         1000       
   Water     63.4            360          1000       
   Soil      9.58            720          1000       
   Sediment  14.5            3.24e+003    0          
     Persistence Time: 103 hr