ChemSpider 2D Image | Phenyldichloroarsine | C6H5AsCl2

Phenyldichloroarsine

  • Molecular FormulaC6H5AsCl2
  • Average mass222.932 Da
  • Monoisotopic mass221.898422 Da
  • ChemSpider ID12238

More details:






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

211-791-9 [EINECS]
Arsine dichloride, phenyl-
arsine, dichlorophenyl-
Arsonous dichloride, N-phenyl- [ACD/Index Name]
DICHLOROPHENYLARSINE
Dichlorure de phénylarsoneux [French] [ACD/IUPAC Name]
Phenyl dichloroarsine
Phenylarsonigdichlorid [German] [ACD/IUPAC Name]
Phenylarsonous dichloride [ACD/IUPAC Name]
Phenyldichloroarsine [Wiki]
More...

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

BRN 2935646 [DBID]
HSDB 6043 [DBID]
RCRA waste no. P036 [DBID]
RCRA waste number P036 [DBID]
TL 69 [DBID]

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

Density:
Boiling Point: 255.5±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.3±3.0 kJ/mol
Flash Point: 114.3±16.1 °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) =  3.06

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  248.30  (Adapted Stein & Brown method)
    Melting Pt (deg C):  0.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0208  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -19 deg C
    BP  (exp database):  255 deg C
    VP  (exp database):  1.13E-01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  80.37
       log Kow used: 3.06 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  636.39 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.00E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.591E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.06  (KowWin est)
  Log Kaw used:  -2.911  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.971
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7695
   Biowin2 (Non-Linear Model)     :   0.8378
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7285  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5310  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0900
   Biowin6 (MITI Non-Linear Model):   0.0352
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5771
 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):  15.1 Pa (0.113 mm Hg)
  Log Koa (Koawin est  ): 5.971
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.99E-007 
       Octanol/air (Koa) model:  2.3E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.19E-006 
       Mackay model           :  1.59E-005 
       Octanol/air (Koa) model:  1.84E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.9498 E-12 cm3/molecule-sec
      Half-Life =     5.486 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    65.827 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.16E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  817.2
      Log Koc:  2.912 

 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 = 1.659 (BCF = 45.58)
       log Kow used: 3.06 (estimated)

 Volatilization from Water:
    Henry LC:  3E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      30.66  hours   (1.278 days)
    Half-Life from Model Lake :      459.7  hours   (19.15 days)

 Removal In Wastewater Treatment:
    Total removal:               7.72  percent
    Total biodegradation:        0.13  percent
    Total sludge adsorption:     6.05  percent
    Total to Air:                1.54  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.48            132          1000       
   Water     17.6            900          1000       
   Soil      79.4            1.8e+003     1000       
   Sediment  0.459           8.1e+003     0          
     Persistence Time: 1e+003 hr




                    

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