CAS Number: 616-16-0
SMILES : CCC(C)CO
CHEM   : (2R)-2-methylbutan-1-ol
MOL FOR: C5 H12 O1 
MOL WT : 88.15
------------------------------ 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) =  1.26
    Log Kow (Exper. database match) =  1.29
       Exper. Ref:  VALVANI,SC ET AL. (1981)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  123.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -61.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.54  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  606  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  128 deg C
    VP  (exp database):  3.12E+00 mm Hg (4.16E+002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.22e+004
       log Kow used: 1.29 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2.97e+004 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  35529 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.33E-005  atm-m3/mole  (1.34E+000 Pa-m3/mole)
   Group Method:   1.65E-005  atm-m3/mole  (1.68E+000 Pa-m3/mole)
   Exper Database: 1.41E-05  atm-m3/mole  (1.43E+000 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:  1.635E-005 atm-m3/mole  (1.657E+000 Pa-m3/mole)
      VP:   4.54 mm Hg (source: MPBPVP)
      WS:   3.22E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.29  (exp database)
  Log Kaw used:  -3.239  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.529
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8643
   Biowin2 (Non-Linear Model)     :   0.9466
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1643  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8500  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6600
   Biowin6 (MITI Non-Linear Model):   0.8561
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6958
 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):  416 Pa (3.12 mm Hg)
  Log Koa (Koawin est  ): 4.529
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.21E-009 
       Octanol/air (Koa) model:  8.3E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.6E-007 
       Mackay model           :  5.77E-007 
       Octanol/air (Koa) model:  6.64E-007 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.5793 E-12 cm3/molecule-sec
      Half-Life =     1.247 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    14.961 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      4.19E-007 (Junge-Pankow, Mackay avg)
      6.64E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  5.568  L/kg (MCI method)
      Log Koc:  0.746       (MCI method)
      Koc    :  16.87  L/kg (Kow method)
      Log Koc:  1.227       (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 = 0.518 (BCF = 3.297 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0808 days (HL = 0.08301 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.385 (BCF = 2.427)
   Log BAF Arnot-Gobas method (upper trophic) = 0.385 (BAF = 2.427)
       log Kow used: 1.29 (expkow database)
 
 Volatilization from Water:
    Henry LC:  1.41E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      39.94  hours   (1.664 days)
    Half-Life from Model Lake :      514.5  hours   (21.44 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.69  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.82  percent
    Total to Air:                0.78  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.41            29.9         1000       
   Water     42.2            360          1000       
   Soil      54.3            720          1000       
   Sediment  0.0872          3.24e+003    0          
     Persistence Time: 346 hr