Arsenic trichloride AsCl3 structure

Flashcard maker : Isabella Parker

Molecular Formula AsCl3
Average mass 181.281 Da
Density
Boiling Point 130.2±9.0 °C at 760 mmHg
Flash Point
Molar Refractivity
Polarizability
Surface Tension
Molar Volume
  • Experimental data
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon
  • Experimental Physico-chemical Properties
    • Experimental Melting Point:

      -16 °C Alfa Aesar
      -16 °C Alfa Aesar 11681, 31499
    • Experimental Boiling Point:

      130.2 °C Alfa Aesar
      130.2 °C Alfa Aesar 11681, 31499
    • Experimental Gravity:

      2.163 g/mL Alfa Aesar 11681, 31499
    • Experimental Solubility:

      Decomposes in water with formation of As(OH)3 and HCl. Increasing dilutions in water result in As2O3 precipitation Alfa Aesar 31499
  • Miscellaneous
    • Safety:

      45-23/25-34-50/53 Alfa Aesar 11681, 31499
      53-45-60-61 Alfa Aesar 11681, 31499
      DANGER: Causes lung and skin cancers; burns on contact Alfa Aesar 11681, 31499
      DANGER: CONTAINS INORGANIC ARSENIC-CANCER HAZARD Alfa Aesar 11681, 31499

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

Density:
Boiling Point: 130.2±9.0 °C at 760 mmHg
Vapour Pressure: 12.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.0±0.0 kJ/mol
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#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): 522.38 (Adapted Stein & Brown method)
 Melting Pt (deg C): 209.08 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 9.91 (Mean VP of Antoine & Grain methods)
 MP (exp database): -16 deg C
 BP (exp database): 130.21 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 2291
 log Kow used: 1.61 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 44256 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 2.45E-005 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 1.032E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 1.61 (KowWin est)
 Log Kaw used: -2.999 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 4.609
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.6612
 Biowin2 (Non-Linear Model) : 0.6070
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.7986 (weeks )
 Biowin4 (Primary Survey Model) : 3.5862 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.1728
 Biowin6 (MITI Non-Linear Model): 0.0625
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.8361
 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): 1.22E+003 Pa (9.18 mm Hg)
 Log Koa (Koawin est ): 4.609
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 2.45E-009 
 Octanol/air (Koa) model: 9.98E-009 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 8.85E-008 
 Mackay model : 1.96E-007 
 Octanol/air (Koa) model: 7.98E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec
 Half-Life = -------
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 1.42E-007 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 35.04
 Log Koc: 1.545 

 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 = 0.539 (BCF = 3.463)
 log Kow used: 1.61 (estimated)

 Volatilization from Water:
 Henry LC: 2.45E-005 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 33.55 hours (1.398 days)
 Half-Life from Model Lake : 478.9 hours (19.95 days)

 Removal In Wastewater Treatment:
 Total removal: 3.32 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.89 percent
 Total to Air: 1.33 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 9.81 1e+005 1000 
 Water 34.4 360 1000 
 Soil 55.7 720 1000 
 Sediment 0.0872 3.24e+003 0 
 Persistence Time: 396 hr




 

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