ChemSpider 2D Image | Cacodyl | C4H12As2

Cacodyl

  • Molecular FormulaC4H12As2
  • Average mass209.981 Da
  • Monoisotopic mass209.937088 Da
  • ChemSpider ID71351

More details:



Featured data source



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

11N299093L
207-440-4 [EINECS]
471-35-2 [RN]
Cacodyl [Wiki]
Diarsine, 1,1,2,2-tetramethyl- [ACD/Index Name]
Dicacodyl
Tetramethyldiarsan [German] [ACD/IUPAC Name]
Tetramethyldiarsane [ACD/IUPAC Name]
Tétraméthyldiarsane [French] [ACD/IUPAC Name]
Alkarsin
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 165.0±0.0 °C at 760 mmHg
Vapour Pressure: 2.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.5±3.0 kJ/mol
Flash Point: 17.5±12.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#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) =  3.32

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  88.99  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -71.38  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  59.8  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  56.99
       log Kow used: 3.32 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  19334 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]:  2.899E-001 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)         :   0.6476
   Biowin2 (Non-Linear Model)     :   0.5067
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7351  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5448  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0891
   Biowin6 (MITI Non-Linear Model):   0.0305
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5178
 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):  7.67E+003 Pa (57.5 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.91E-010 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.41E-008 
       Mackay model           :  3.13E-008 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.7616 E-12 cm3/molecule-sec
      Half-Life =    14.044 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.27E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  106.8
      Log Koc:  2.029 

 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 = 1.855 (BCF = 71.62)
       log Kow used: 3.32 (estimated)

 Volatilization from Water:
    Henry LC:  0.29 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.482  hours
    Half-Life from Model Lake :      137.7  hours   (5.736 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.14  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     4.84  percent
    Total to Air:               94.27  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       44.6            337          1000       
   Water     48.9            900          1000       
   Soil      4.09            1.8e+003     1000       
   Sediment  2.32            8.1e+003     0          
     Persistence Time: 160 hr




                    

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