CAS Number: 75-52-5
SMILES : N(=O)(=O)C
CHEM   : Methane, nitro-
MOL FOR: C1 H3 N1 O2 
MOL WT : 61.04
------------------------------ 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) =  -0.04
    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):  66.47  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -51.68  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  35.7  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  4.76E+003  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -28.5 deg C
    BP  (exp database):  101.1 deg C
    VP  (exp database):  3.58E+01 mm Hg (4.77E+003 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  1.112e+005
       log Kow used: -0.35 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1.11e+005 mg/L (25 deg C)
        Exper. Ref:  RIDDICK,JA ET AL. (1986)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.1353e+005 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Neutral Organics
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   4.21E-005  atm-m3/mole  (4.27E+000 Pa-m3/mole)
   Group Method:   2.74E-005  atm-m3/mole  (2.78E+000 Pa-m3/mole)
   Exper Database: 2.86E-05  atm-m3/mole  (2.90E+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:  2.578E-005 atm-m3/mole  (2.613E+000 Pa-m3/mole)
      VP:   35.7 mm Hg (source: MPBPVP)
      WS:   1.11E+005 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:  -2.932  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  2.582
      Log Koa (experimental database):  2.530
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7185
   Biowin2 (Non-Linear Model)     :   0.8949
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.0643  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7597  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5310
   Biowin6 (MITI Non-Linear Model):   0.6863
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7565
 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):  4.77E+003 Pa (35.8 mm Hg)
  Log Koa (Exp database): 2.530
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.28E-010 
       Octanol/air (Koa) model:  8.32E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.27E-008 
       Mackay model           :  5.03E-008 
       Octanol/air (Koa) model:  6.65E-009 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.1300 E-12 cm3/molecule-sec
      Half-Life =    82.277 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.65E-008 (Junge-Pankow, Mackay avg)
      6.65E-009 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  10.32  L/kg (MCI method)
      Log Koc:  1.014       (MCI method)
      Koc    :  8.925  L/kg (Kow method)
      Log Koc:  0.951       (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) = -1.5561 days (HL = 0.02779 days)
   Log BCF Arnot-Gobas method (upper trophic) = -0.037 (BCF = 0.9181)
   Log BAF Arnot-Gobas method (upper trophic) = -0.037 (BAF = 0.9181)
       log Kow used: -0.35 (expkow database)
 
 Volatilization from Water:
    Henry LC:  2.86E-005 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      16.79  hours
    Half-Life from Model Lake :      248.7  hours   (10.36 days)
 
 Removal In Wastewater Treatment:
    Total removal:               3.37  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.73  percent
    Total to Air:                1.55  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       10.5            1.97e+003    1000       
   Water     37              360          1000       
   Soil      52.4            720          1000       
   Sediment  0.0838          3.24e+003    0          
     Persistence Time: 374 hr