CAS Number: 79-46-9
SMILES : N(=O)(=O)C(C)C
CHEM   : Propane, 2-nitro-
MOL FOR: C3 H7 N1 O2 
MOL WT : 89.09
------------------------------ 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) =  0.87
    Log Kow (Exper. database match) =  0.93
       Exper. Ref:  CHEMICALS INSPECTION AND TESTING INSTITU (1992)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  100.88  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -37.87  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  15.5  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  2.07E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -91.3 deg C
    BP  (exp database):  120.2 deg C
    VP  (exp database):  1.72E+01 mm Hg (2.29E+003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  8185
       log Kow used: 0.93 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.7e+004 mg/L (25 deg C)
        Exper. Ref:  BAKER,PJJR & BOLLMEIER,AFJR (1981)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  23418 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.42E-005  atm-m3/mole  (7.52E+000 Pa-m3/mole)
   Group Method:   1.25E-004  atm-m3/mole  (1.27E+001 Pa-m3/mole)
   Exper Database: 1.19E-04  atm-m3/mole  (1.21E+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:  2.220E-004 atm-m3/mole  (2.249E+001 Pa-m3/mole)
      VP:   15.5 mm Hg (source: MPBPVP)
      WS:   8.19E+003 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.93  (exp database)
  Log Kaw used:  -2.313  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  3.243
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7051
   Biowin2 (Non-Linear Model)     :   0.8511
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0023  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7192  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3972
   Biowin6 (MITI Non-Linear Model):   0.4732
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5111
 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):  2.29E+003 Pa (17.2 mm Hg)
  Log Koa (Koawin est  ): 3.243
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.31E-009 
       Octanol/air (Koa) model:  4.3E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.72E-008 
       Mackay model           :  1.05E-007 
       Octanol/air (Koa) model:  3.44E-008 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1681 E-12 cm3/molecule-sec
      Half-Life =    63.636 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      7.6E-008 (Junge-Pankow, Mackay avg)
      3.44E-008 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  30.8  L/kg (MCI method)
      Log Koc:  1.489       (MCI method)
      Koc    :  45.56  L/kg (Kow method)
      Log Koc:  1.659       (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) = -1.1807 days (HL = 0.06596 days)
   Log BCF Arnot-Gobas method (upper trophic) = 0.185 (BCF = 1.53)
   Log BAF Arnot-Gobas method (upper trophic) = 0.185 (BAF = 1.53)
       log Kow used: 0.93 (expkow database)
 
 Volatilization from Water:
    Henry LC:  0.000119 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      5.607  hours
    Half-Life from Model Lake :      140.3  hours   (5.846 days)
 
 Removal In Wastewater Treatment:
    Total removal:               7.48  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.70  percent
    Total to Air:                5.69  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       13.5            987          1000       
   Water     30.4            360          1000       
   Soil      56              720          1000       
   Sediment  0.0946          3.24e+003    0          
     Persistence Time: 348 hr