CAS Number: 30525-89-4
SMILES : O=C
CHEM   : 
MOL FOR: C1 H2 O1 
MOL WT : 30.03
------------------------------ 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) =  0.35
    Log Kow (Exper. database match) =  0.35
       Exper. Ref:  HANSCH,C ET AL. (1995)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  9.50  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -110.94  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.49E+003  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.65E+005  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -92 deg C
    BP  (exp database):  -19.1 deg C
    VP  (exp database):  3.89E+03 mm Hg (5.19E+005 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  5.702e+004
       log Kow used: 0.35 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4e+005 mg/L (20 deg C)
        Exper. Ref:  PICKRELL,JA ET AL. (1983)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.9694e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Aldehydes (Mono)
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   9.29E-005  atm-m3/mole  (9.41E+000 Pa-m3/mole)
   Group Method:   6.14E-005  atm-m3/mole  (6.23E+000 Pa-m3/mole)
   Exper Database: 3.37E-07  atm-m3/mole  (3.41E-002 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:  5.267E-004 atm-m3/mole  (5.336E+001 Pa-m3/mole)
      VP:   3.49E+003 mm Hg (source: MPBPVP)
      WS:   5.7E+004 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.35  (exp database)
  Log Kaw used:  -4.861  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.211
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0179
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1551  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0011  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   1.0342
   Biowin6 (MITI Non-Linear Model):   0.9879
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.9587
 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):  5.19E+005 Pa (3.89E+003 mm Hg)
  Log Koa (Koawin est  ): 5.211
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.78E-012 
       Octanol/air (Koa) model:  3.99E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.09E-010 
       Mackay model           :  4.63E-010 
       Octanol/air (Koa) model:  3.19E-006 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.1300 E-12 cm3/molecule-sec
      Half-Life =     1.316 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.787 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.36E-010 (Junge-Pankow, Mackay avg)
      3.19E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1  L/kg (MCI method)
      Log Koc:  0.000       (MCI method)
      Koc    :  7.752  L/kg (Kow method)
      Log Koc:  0.889       (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 = 0.500 (BCF = 3.162 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -1.2600 days (HL = 0.05495 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.024 (BCF = 1.056)
   Log BAF Arnot-Gobas method (upper trophic) = 0.024 (BAF = 1.056)
       log Kow used: 0.35 (expkow database)
 
 Volatilization from Water:
    Henry LC:  3.37E-007 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      952.6  hours   (39.69 days)
    Half-Life from Model Lake : 1.044E+004  hours   (434.9 days)
 
 Removal In Wastewater Treatment:
    Total removal:               1.87  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.13            27.4         1000       
   Water     44.1            360          1000       
   Soil      53.6            720          1000       
   Sediment  0.0826          3.24e+003    0          
     Persistence Time: 391 hr