ChemSpider 2D Image | Dioxodiphosphoxane | O3P2

Dioxodiphosphoxane

  • Molecular FormulaO3P2
  • Average mass109.946 Da
  • Monoisotopic mass109.932266 Da
  • ChemSpider ID14126

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1314-24-5 [RN]
Dioxodiphosphoxan [German] [ACD/IUPAC Name]
Dioxodiphosphoxane [ACD/IUPAC Name]
Dioxodiphosphoxane [French] [ACD/IUPAC Name]
Phosphine, 1,1'-oxybis[1-oxo- [ACD/Index Name]
Phosphorus trioxide
Diphosphorus trioxide
PHOSPHORUS OXIDE (P2O3)
Phosphorus trioxide [UN2578] [Corrosive]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

0LTR52K7HK [DBID]
UN2578 [DBID]
UNII:0LTR52K7HK [DBID]
UNII-0LTR52K7HK [DBID]
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      23.8 °C Kaye & Laby (No longer updated)
    • Experimental Solubility:

      decomposes in 100?C water Kaye & Laby (No longer updated)
      decomposes in 20?C water Kaye & Laby (No longer updated)
      soluble in benzene Kaye & Laby (No longer updated)
      soluble in chloroform Kaye & Laby (No longer updated)
      soluble in CS2 Kaye & Laby (No longer updated)
      soluble in ether Kaye & Laby (No longer updated)
    • Experimental Density:

      2.135 g/mL / 20 °C Kaye & Laby (No longer updated)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 112 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) =  -3.64

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  480.00  (Adapted Stein & Brown method)
    Melting Pt (deg C):  90.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.06E-008  (Modified Grain method)
    Subcooled liquid VP: 8.76E-008 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -3.64 (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:
       Esters
       Esters (phosphate)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.17E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.980E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -3.64  (KowWin est)
  Log Kaw used:  -4.052  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  0.412
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6952
   Biowin2 (Non-Linear Model)     :   0.8096
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9562  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6891  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3851
   Biowin6 (MITI Non-Linear Model):   0.3434
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  1.17E-005 Pa (8.76E-008 mm Hg)
  Log Koa (Koawin est  ): 0.412
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.257 
       Octanol/air (Koa) model:  6.34E-013 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.903 
       Mackay model           :  0.954 
       Octanol/air (Koa) model:  5.07E-011 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.928 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.619
      Log Koc:  0.209 

 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: -3.64 (estimated)

 Volatilization from Water:
    Henry LC:  2.17E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:        284  hours   (11.83 days)
    Half-Life from Model Lake :       3186  hours   (132.7 days)

 Removal In Wastewater Treatment:
    Total removal:               1.97  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.12  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.04            1e+005       1000       
   Water     40.1            360          1000       
   Soil      57.8            720          1000       
   Sediment  0.0734          3.24e+003    0          
     Persistence Time: 517 hr




                    

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