CAS Number: 1247790-47-1
SMILES : CC(C)CCC(C)C(C)O
CHEM   : 
MOL FOR: C9 H20 O1 
MOL WT : 144.26
------------------------------ EPI SUMMARY (v4.11) --------------------------
 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) =  3.08
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  177.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -38.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.279  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  37.2  (Mean VP of Antoine & Grain methods)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  613.8
       log Kow used: 3.08 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1161.2 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.12E-005  atm-m3/mole  (4.17E+000 Pa-m3/mole)
   Group Method:   1.31E-004  atm-m3/mole  (1.33E+001 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:  8.628E-005 atm-m3/mole  (8.742E+000 Pa-m3/mole)
      VP:   0.279 mm Hg (source: MPBPVP)
      WS:   614 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.08  (KowWin est)
  Log Kaw used:  -2.774  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.854
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8376
   Biowin2 (Non-Linear Model)     :   0.8887
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0403  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7691  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3926
   Biowin6 (MITI Non-Linear Model):   0.5007
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2050
 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):  33.1 Pa (0.248 mm Hg)
  Log Koa (Koawin est  ): 5.854
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.07E-008 
       Octanol/air (Koa) model:  1.75E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.28E-006 
       Mackay model           :  7.26E-006 
       Octanol/air (Koa) model:  1.4E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  17.3081 E-12 cm3/molecule-sec
      Half-Life =     0.618 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     7.416 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      5.27E-006 (Junge-Pankow, Mackay avg)
      1.4E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  44.34  L/kg (MCI method)
      Log Koc:  1.647       (MCI method)
      Koc    :  164.9  L/kg (Kow method)
      Log Koc:  2.217       (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 = 1.697 (BCF = 49.72 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.5681 days (HL = 0.2704 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.770 (BCF = 58.86)
   Log BAF Arnot-Gobas method (upper trophic) = 1.770 (BAF = 58.86)
       log Kow used: 3.08 (estimated)
 
 Volatilization from Water:
    Henry LC:  4.12E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      18.29  hours
    Half-Life from Model Lake :      300.3  hours   (12.51 days)
 
 Removal In Wastewater Treatment:
    Total removal:               8.43  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.22  percent
    Total to Air:                2.07  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.91            14.8         1000       
   Water     30.7            360          1000       
   Soil      67.3            720          1000       
   Sediment  0.112           3.24e+003    0          
     Persistence Time: 380 hr