ChemSpider 2D Image | Ethylenebis(dichlorophosphine) | C2H4Cl4P2

Ethylenebis(dichlorophosphine)

  • Molecular FormulaC2H4Cl4P2
  • Average mass231.813 Da
  • Monoisotopic mass229.854233 Da
  • ChemSpider ID107057

More details:

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

1,2-BIS(DICHLOROPHOSPHINO)ETHANE
1,2-Ethandiylbis(phosphonigdichlorid) [German] [ACD/IUPAC Name]
1,2-Ethanediylbis(phosphonous dichloride) [ACD/IUPAC Name]
1,2-Ethanediylbis[phosphonous dichloride]
28240-69-9 [RN]
Dichlorure de 1,2-éthanediylbis(phosphoneux) [French] [ACD/IUPAC Name]
Ethane-1,2-diylbis(phosphonous dichloride)
Ethylenebis(dichlorophosphine)
Ethylenebis(phosphonous dichloride)
MFCD00009609 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

261920_ALDRICH [DBID]

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

Density:
Boiling Point: 249.4±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.7±3.0 kJ/mol
Flash Point: 104.6±19.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.76
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 730.44
ACD/KOC (pH 5.5): 3902.60
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 730.44
ACD/KOC (pH 7.4): 3902.60
Polar Surface Area: 27 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) =  3.25

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  194.28  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -7.07  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.479  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  49.7
       log Kow used: 3.25 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2463.3 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.22E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.940E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.25  (KowWin est)
  Log Kaw used:  -3.595  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.845
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6372
   Biowin2 (Non-Linear Model)     :   0.4297
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6869  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5133  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1213
   Biowin6 (MITI Non-Linear Model):   0.0353
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8881
 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):  58.3 Pa (0.437 mm Hg)
  Log Koa (Koawin est  ): 6.845
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.15E-008 
       Octanol/air (Koa) model:  1.72E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.86E-006 
       Mackay model           :  4.12E-006 
       Octanol/air (Koa) model:  0.000137 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.2976 E-12 cm3/molecule-sec
      Half-Life =     4.655 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    55.862 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.99E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  356
      Log Koc:  2.551 

 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 = 1.804 (BCF = 63.69)
       log Kow used: 3.25 (estimated)

 Volatilization from Water:
    Henry LC:  6.22E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      144.9  hours   (6.036 days)
    Half-Life from Model Lake :       1708  hours   (71.17 days)

 Removal In Wastewater Treatment:
    Total removal:               8.78  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     8.31  percent
    Total to Air:                0.32  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.9             112          1000       
   Water     18.1            900          1000       
   Soil      79.2            1.8e+003     1000       
   Sediment  0.73            8.1e+003     0          
     Persistence Time: 1.07e+003 hr

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