CAS Num: 000107-74-4
SMILES : OCCC(CCCC(O)(C)C)C
CHEM   : 1,7-Octanediol, 3,7-dimethyl-
MOL FOR: C10 H22 O2 
MOL WT : 174.29
------------------------------ 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) =  2.54

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  262.24  (Adapted Stein & Brown method)
    Melting Pt (deg C):  38.91  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000552  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.0736  (Modified Grain method)
    BP  (exp database):  265 deg C
    Subcooled liquid VP: 0.000738 mm Hg (25 deg C, Mod-Grain method)
                       : 0.0983 Pa (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  393.9
       log Kow used: 2.54 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  8673.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.26E-006  atm-m3/mole  (1.28E-001 Pa-m3/mole)
   Group Method:   1.14E-009  atm-m3/mole  (1.16E-004 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:  3.214E-007 atm-m3/mole  (3.256E-002 Pa-m3/mole)
      VP:   0.000552 mm Hg (source: MPBPVP)
      WS:   394 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.54  (KowWin est)
  Log Kaw used:  -4.288  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.828
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6394
   Biowin2 (Non-Linear Model)     :   0.4821
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7619  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5723  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6200
   Biowin6 (MITI Non-Linear Model):   0.7317
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3600
 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):  0.0984 Pa (0.000738 mm Hg)
  Log Koa (Koawin est  ): 6.828
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.05E-005 
       Octanol/air (Koa) model:  1.65E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0011 
       Mackay model           :  0.00243 
       Octanol/air (Koa) model:  0.000132 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.0414 E-12 cm3/molecule-sec
      Half-Life =     0.628 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.532 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00177 (Junge-Pankow, Mackay avg)
      0.000132 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10  L/kg (MCI method)
      Log Koc:  1.000       (MCI method)
      Koc    :  32.15  L/kg (Kow method)
      Log Koc:  1.507       (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 = 1.346 (BCF = 22.18 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.8969 days (HL = 0.1268 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.317 (BCF = 20.74)
   Log BAF Arnot-Gobas method (upper trophic) = 1.317 (BAF = 20.74)
       log Kow used: 2.54 (estimated)

 Volatilization from Water:
    Henry LC:  1.26E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      614.8  hours   (25.62 days)
    Half-Life from Model Lake :       6818  hours   (284.1 days)

 Removal In Wastewater Treatment:
    Total removal:               3.28  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     3.11  percent
    Total to Air:                0.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.59            15.1         1000       
   Water     39.3            360          1000       
   Soil      59.1            720          1000       
   Sediment  0.0884          3.24e+003    0          
     Persistence Time: 384 hr