ChemSpider 2D Image | 1,2-Bis(dimethylarsino)benzene | C10H16As2


  • Molecular FormulaC10H16As2
  • Average mass286.077 Da
  • Monoisotopic mass285.968384 Da
  • ChemSpider ID75125

More details:

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

1,2-Phenylenbis(dimethylarsin) [German] [ACD/IUPAC Name]
1,2-Phenylenebis(dimethylarsine) [ACD/IUPAC Name]
1,2-Phénylènebis(diméthylarsine) [French] [ACD/IUPAC Name]
236-227-9 [EINECS]
Arsine, 1,1'-(1,2-phenylene)bis[1,1-dimethyl- [ACD/Index Name]
Arsine, 1,2-phenylenebis[dimethyl-
Arsine, o-phenylenebis[dimethyl-
1, 2-Bis(dimethylarsino)benzene

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

CHEBI:30628 [DBID]
NSC 89290 [DBID]
NSC89290 [DBID]

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

Boiling Point: 268.0±36.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.6±3.0 kJ/mol
Flash Point: 108.4±20.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
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
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) =  5.08

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  325.39  (Adapted Stein & Brown method)
    Melting Pt (deg C):  20.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.000502  (Modified Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.6755
       log Kow used: 5.08 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  99.371 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.82E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.797E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.08  (KowWin est)
  Log Kaw used:  -0.128  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.208
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6113
   Biowin2 (Non-Linear Model)     :   0.2585
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5670  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4350  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1044
   Biowin6 (MITI Non-Linear Model):   0.0056
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1361
 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):  0.0669 Pa (0.000502 mm Hg)
  Log Koa (Koawin est  ): 5.208
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.48E-005 
       Octanol/air (Koa) model:  3.96E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00162 
       Mackay model           :  0.00357 
       Octanol/air (Koa) model:  3.17E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.7114 E-12 cm3/molecule-sec
      Half-Life =     3.945 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    47.337 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00259 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4120
      Log Koc:  3.615 

 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 = 3.213 (BCF = 1634)
       log Kow used: 5.08 (estimated)

 Volatilization from Water:
    Henry LC:  0.0182 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.78  hours
    Half-Life from Model Lake :      161.2  hours   (6.719 days)

 Removal In Wastewater Treatment:
    Total removal:              93.35  percent
    Total biodegradation:        0.33  percent
    Total sludge adsorption:    59.46  percent
    Total to Air:               33.57  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3               94.7         1000       
   Water     7.21            900          1000       
   Soil      70.2            1.8e+003     1000       
   Sediment  19.6            8.1e+003     0          
     Persistence Time: 1.07e+003 hr


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