CAS Num: 000115-18-4
SMILES : OC(C=C)(C)C
CHEM   : 3-Buten-2-ol, 2-methyl-
MOL FOR: C5 H10 O1 
MOL WT : 86.13
------------------------------ 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) =  1.08

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  93.27  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -62.39  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  23.4  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  3.12E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -28 deg C
    BP  (exp database):  97 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.874e+004
       log Kow used: 1.08 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L ( deg C)
        Exper. Ref:  BEILSTEIN

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  52755 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Vinyl/Allyl Alcohols

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.88E-006  atm-m3/mole  (1.00E+000 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 2.08E-05  atm-m3/mole  (2.11E+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:  5.441E-005 atm-m3/mole  (5.513E+000 Pa-m3/mole)
      VP:   23.4 mm Hg (source: MPBPVP)
      WS:   4.87E+004 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.08  (KowWin est)
  Log Kaw used:  -3.070  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.150
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5226
   Biowin2 (Non-Linear Model)     :   0.5156
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7967  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5700  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5429
   Biowin6 (MITI Non-Linear Model):   0.6370
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1221
 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):  2.95E+003 Pa (22.1 mm Hg)
  Log Koa (Koawin est  ): 4.150
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.02E-009 
       Octanol/air (Koa) model:  3.47E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.68E-008 
       Mackay model           :  8.14E-008 
       Octanol/air (Koa) model:  2.77E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  27.4736 E-12 cm3/molecule-sec
      Half-Life =     0.389 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.672 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi):
      5.91E-008 (Junge-Pankow, Mackay avg)
      2.77E-007 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4.138  L/kg (MCI method)
      Log Koc:  0.617       (MCI method)
      Koc    :  12.91  L/kg (Kow method)
      Log Koc:  1.111       (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 = 0.383 (BCF = 2.413 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.9363 days (HL = 0.1158 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.288 (BCF = 1.939)
   Log BAF Arnot-Gobas method (upper trophic) = 0.288 (BAF = 1.939)
       log Kow used: 1.08 (estimated)

 Volatilization from Water:
    Henry LC:  2.08E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      27.07  hours   (1.128 days)
    Half-Life from Model Lake :      373.1  hours   (15.55 days)

 Removal In Wastewater Treatment:
    Total removal:               3.02  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.78  percent
    Total to Air:                1.14  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.627           3.46         1000       
   Water     44.7            360          1000       
   Soil      54.6            720          1000       
   Sediment  0.0896          3.24e+003    0          
     Persistence Time: 317 hr