ChemSpider 2D Image | Bis(dicyclohexylphosphino)ethane | C26H48P2

Bis(dicyclohexylphosphino)ethane

  • Molecular FormulaC26H48P2
  • Average mass422.607 Da
  • Monoisotopic mass422.323120 Da
  • ChemSpider ID465407

More details:






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

1,2-Ethandiylbis(dicyclohexylphosphin) [German] [ACD/IUPAC Name]
1,2-Ethanediylbis(dicyclohexylphosphine) [ACD/IUPAC Name]
1,2-Éthanediylbis(dicyclohexylphosphine) [French] [ACD/IUPAC Name]
23743-26-2 [RN]
Bis(1,2-dicyclohexylphosphino)ethane
Bis(dicyclohexylphosphino)ethane [Wiki]
DCPE [Trade name]
ethane-1,2-diylbis(dicyclohexylphosphane)
Phosphine, 1,1'-(1,2-ethanediyl)bis[1,1-dicyclohexyl- [ACD/Index Name]
Phosphine, 1,2-ethanediylbis[dicyclohexyl-
More...

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

479500_ALDRICH [DBID]
CCRIS 4693 [DBID]
  • Miscellaneous
    • Appearance:

      Off-white Solid Novochemy [NC-44147]
    • Safety:

      11 Alfa Aesar 39269
      20/21/22 Novochemy [NC-44147]
      20/21/36/37/39 Novochemy [NC-44147]
      33 Alfa Aesar 39269
      4.1 Alfa Aesar 39269
      Danger Alfa Aesar 39269
      DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar 39269
      GHS07; GHS09 Novochemy [NC-44147]
      H228 Alfa Aesar 39269
      H332; H403 Novochemy [NC-44147]
      IRRITANT Matrix Scientific 098760
      P102; P210; P262; P270; P302+P352; P308+P313 Novochemy [NC-44147]
      P210-P280-P240-P241-P370+P378a Alfa Aesar 39269
      R52/221 Novochemy [NC-44147]
      Warning Novochemy [NC-44147]
  • Gas Chromatography

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

Density:
Boiling Point: 528.3±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 290.6±28.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 9.97
ACD/LogD (pH 5.5): 8.34
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 822519.75
ACD/LogD (pH 7.4): 8.34
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 822519.75
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) =  11.48

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  464.47  (Adapted Stein & Brown method)
    Melting Pt (deg C):  161.97  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.4E-009  (Modified Grain method)
    Subcooled liquid VP: 2.14E-007 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):  3.486e-007
       log Kow used: 11.48 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00011758 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.58E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.340E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  11.48  (KowWin est)
  Log Kaw used:  -1.835  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  13.315
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5463
   Biowin2 (Non-Linear Model)     :   0.0478
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2652  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2380  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0020
   Biowin6 (MITI Non-Linear Model):   0.0099
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.3544
 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):  2.85E-005 Pa (2.14E-007 mm Hg)
  Log Koa (Koawin est  ): 13.315
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.105 
       Octanol/air (Koa) model:  5.07 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.792 
       Mackay model           :  0.894 
       Octanol/air (Koa) model:  0.998 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  42.2987 E-12 cm3/molecule-sec
      Half-Life =     0.253 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.034 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.843 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.054E+008
      Log Koc:  8.023 

 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: 11.48 (estimated)

 Volatilization from Water:
    Henry LC:  0.000358 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       5.46  hours
    Half-Life from Model Lake :      231.9  hours   (9.664 days)

 Removal In Wastewater Treatment:
    Total removal:              94.04  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.26  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0685          6.07         1000       
   Water     1.84            900          1000       
   Soil      30.5            1.8e+003     1000       
   Sediment  67.6            8.1e+003     0          
     Persistence Time: 3.26e+003 hr




                    

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