CAS Number: 64-67-5
SMILES : O=S(=O)(OCC)OCC
CHEM   : Sulfuric acid, diethyl ester
MOL FOR: C4 H10 O4 S1 
MOL WT : 154.18
------------------------------ 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) =  1.14
    Log Kow (Exper. database match) =  1.14
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  227.93  (Adapted Stein & Brown method)
    Melting Pt (deg C):  37.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.241  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  32.2  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -24 deg C
    BP  (exp database):  208 deg C
    VP  (exp database):  2.12E-01 mm Hg (2.83E+001 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  7727
       log Kow used: 1.14 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  7000 mg/L (20 deg C)
        Exper. Ref:  MCCORMACK,WB & LAWES,BC (1983)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4491.2 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Esters
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.59E-006  atm-m3/mole  (4.65E-001 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 6.14E-06  atm-m3/mole  (6.22E-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:  6.327E-006 atm-m3/mole  (6.411E-001 Pa-m3/mole)
      VP:   0.241 mm Hg (source: MPBPVP)
      WS:   7.73E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.14  (exp database)
  Log Kaw used:  -3.600  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  4.740
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6741
   Biowin2 (Non-Linear Model)     :   0.6941
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8584  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6253  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3531
   Biowin6 (MITI Non-Linear Model):   0.2636
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7289
 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):  28.3 Pa (0.212 mm Hg)
  Log Koa (Koawin est  ): 4.740
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.06E-007 
       Octanol/air (Koa) model:  1.35E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.83E-006 
       Mackay model           :  8.49E-006 
       Octanol/air (Koa) model:  1.08E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.6422 E-12 cm3/molecule-sec
      Half-Life =     6.513 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    78.160 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      6.16E-006 (Junge-Pankow, Mackay avg)
      1.08E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  28.2  L/kg (MCI method)
      Log Koc:  1.450       (MCI method)
      Koc    :  52.13  L/kg (Kow method)
      Log Koc:  1.717       (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 = 0.419 (BCF = 2.625 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.0435 days (HL = 0.09047 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.305 (BCF = 2.016)
   Log BAF Arnot-Gobas method (upper trophic) = 0.305 (BAF = 2.016)
       log Kow used: 1.14 (expkow database)
 
 Volatilization from Water:
    Henry LC:  6.14E-006 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      119.7  hours   (4.986 days)
    Half-Life from Model Lake :       1410  hours   (58.73 days)
 
 Removal In Wastewater Treatment:
    Total removal:               2.24  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.80  percent
    Total to Air:                0.35  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.37            143          1000       
   Water     32.4            360          1000       
   Soil      62.1            720          1000       
   Sediment  0.0976          3.24e+003    0          
     Persistence Time: 426 hr