ChemSpider 2D Image | 1,2-Bis(dimethylphosphino)ethane | C6H16P2

1,2-Bis(dimethylphosphino)ethane

  • Molecular FormulaC6H16P2
  • Average mass150.139 Da
  • Monoisotopic mass150.072723 Da
  • ChemSpider ID124423

More details:






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

1,2-Bis(dimethylphosphino)ethane [Wiki]
[2-(Dimethylphosphino)ethyl](dimethyl)phosphine
1,2-Ethandiylbis(dimethylphosphin) [German] [ACD/IUPAC Name]
1,2-Ethanediylbis(dimethylphosphine) [ACD/IUPAC Name]
1,2-Éthanediylbis(diméthylphosphine) [French] [ACD/IUPAC Name]
23936-60-9 [RN]
DMPE
ethane-1,2-diylbis(dimethylphosphane)
Ethane-1,2-diylbis(dimethylphosphine)
Phosphine, 1,1'-(1,2-ethanediyl)bis[1,1-dimethyl- [ACD/Index Name]
More...

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

261939_ALDRICH [DBID]
ghl.PDMitscherleg0.173 [DBID]

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

Density:
Boiling Point: 181.1±23.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.0±3.0 kJ/mol
Flash Point: 63.0±28.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.84
ACD/KOC (pH 5.5): 191.64
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.84
ACD/KOC (pH 7.4): 191.64
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) =  2.40

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  152.17  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -56.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.62  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  675.3
       log Kow used: 2.40 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1165.7 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.28E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.059E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.40  (KowWin est)
  Log Kaw used:  -2.873  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.273
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6761
   Biowin2 (Non-Linear Model)     :   0.7061
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8674  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6311  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3659
   Biowin6 (MITI Non-Linear Model):   0.2948
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5698
 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):  441 Pa (3.31 mm Hg)
  Log Koa (Koawin est  ): 5.273
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.8E-009 
       Octanol/air (Koa) model:  4.6E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.46E-007 
       Mackay model           :  5.44E-007 
       Octanol/air (Koa) model:  3.68E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.8416 E-12 cm3/molecule-sec
      Half-Life =     3.764 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    45.168 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.95E-007 (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 = 1.148 (BCF = 14.07)
       log Kow used: 2.40 (estimated)

 Volatilization from Water:
    Henry LC:  3.28E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      23.12  hours
    Half-Life from Model Lake :        355  hours   (14.79 days)

 Removal In Wastewater Treatment:
    Total removal:               4.55  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.71  percent
    Total to Air:                1.74  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.87            90.3         1000       
   Water     26.3            360          1000       
   Soil      68.7            720          1000       
   Sediment  0.157           3.24e+003    0          
     Persistence Time: 436 hr




                    

Click to predict properties on the Chemicalize site


Feedback Form