ChemSpider 2D Image | Diethylzinc | C4H10Zn

Diethylzinc

  • Molecular FormulaC4H10Zn
  • Average mass123.531 Da
  • Monoisotopic mass122.007393 Da
  • ChemSpider ID10413128

More details:



Featured data source



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

(C2H5)2Zn [Formula]
209-161-3 [EINECS]
Diethylzinc [ACD/IUPAC Name] [Wiki]
Diéthylzinc [French] [ACD/IUPAC Name]
Diethylzink [German] [ACD/IUPAC Name]
Et2Zn [Formula]
Zinc, diethyl- [ACD/Index Name]
ZnEt2 [Formula]
557-20-0 [RN]
More...

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

220809_ALDRICH [DBID]
256781_ALDRICH [DBID]
296112_ALDRICH [DBID]
406023_ALDRICH [DBID]
668729_ALDRICH [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#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: 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) =  1.61

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  113.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -47.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.88  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -28 deg C
    BP  (exp database):  137.5 deg C
    VP  (exp database):  2.08E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4142
       log Kow used: 1.61 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4210.7 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.484E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6887
   Biowin2 (Non-Linear Model)     :   0.7781
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9262  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6695  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4443
   Biowin6 (MITI Non-Linear Model):   0.4645
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7289
 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):  2.77E+003 Pa (20.8 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.08E-009 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.91E-008 
       Mackay model           :  8.65E-008 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  19.0146 E-12 cm3/molecule-sec
      Half-Life =     0.563 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     6.750 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.28E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  80.77
      Log Koc:  1.907 

 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 = 0.536 (BCF = 3.439)
       log Kow used: 1.61 (estimated)

 Volatilization from Water:
    Henry LC:  0.000348 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      3.002  hours
    Half-Life from Model Lake :      125.9  hours   (5.247 days)

 Removal In Wastewater Treatment:
    Total removal:              15.50  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     1.70  percent
    Total to Air:               13.72  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.56            13.5         1000       
   Water     43.6            360          1000       
   Soil      50.7            720          1000       
   Sediment  0.11            3.24e+003    0          
     Persistence Time: 193 hr




                    

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