ChemSpider 2D Image | bis($l^{1}-oxidanyl)methane | CH2O2

bis(λ1-oxidanyl)methane

  • Molecular FormulaCH2O2
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID10605624

More details:






Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 193.7±8.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.8 mmHg at 25°C
Enthalpy of Vaporization: 50.0±6.0 kJ/mol
Flash Point: 99.8±13.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.92
ACD/LogD (pH 5.5): -1.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.52
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.52
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -0.79

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  131.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -43.78  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.11  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.355e+005
       log Kow used: -0.79 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.85E-008  atm-m3/mole
   Group Method:   1.07E-008  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  3.093E-007 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.79  (KowWin est)
  Log Kaw used:  -5.395  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.605
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0421
   Biowin2 (Non-Linear Model)     :   0.9897
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4129  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.0373  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9409
   Biowin6 (MITI Non-Linear Model):   0.9728
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.1276
 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):  376 Pa (2.82 mm Hg)
  Log Koa (Koawin est  ): 4.605
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.98E-009 
       Octanol/air (Koa) model:  9.89E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.88E-007 
       Mackay model           :  6.38E-007 
       Octanol/air (Koa) model:  7.91E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  11.7215 E-12 cm3/molecule-sec
      Half-Life =     0.913 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.950 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.63E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1
      Log Koc:  0.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.79 (estimated)

 Volatilization from Water:
    Henry LC:  9.85E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       4121  hours   (171.7 days)
    Half-Life from Model Lake : 4.501E+004  hours   (1875 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.75            21.9         1000       
   Water     38.7            208          1000       
   Soil      59.5            416          1000       
   Sediment  0.0671          1.87e+003    0          
     Persistence Time: 294 hr




                    

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