ChemSpider 2D Image | Arsenic acid | H3AsO4

Arsenic acid

  • Molecular FormulaH3AsO4
  • Average mass141.943 Da
  • Monoisotopic mass141.924728 Da
  • ChemSpider ID229

More details:

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

231-901-9 [EINECS]
7778-39-4 [RN]
Acide arsénique [French] [ACD/IUPAC Name]
Arsenic acid [ACD/IUPAC Name]
Arsensäure [German] [ACD/IUPAC Name]
trihydrogen arsenate
[AsO(OH)3]
22538-92-7 [RN]
8AR
Acide arsenique liquide [French]
More...

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

N7CIZ75ZPN [DBID]
AIDS128949 [DBID]
AIDS-128949 [DBID]
Arsenic acid, liquid [UN1553] [Poison] [DBID]
Arsenic acid, solid [UN1554] [Poison] [DBID]
C01478 [DBID]
Caswell No. 056 [DBID]
CHEBI:18231 [DBID]
EPA Pesticide Chemical Code 006801 [DBID]
HSDB 431 [DBID]
More...
  • Miscellaneous

    • Toxicity:

      Inorganic Compound; Arsenic Compound; Pesticide; Pollutant; Food Toxin; Metabolite; Industrial/Workplace Toxin; Natural Compound Toxin, Toxin-Target Database T3D0223

    • Chemical Class:

      An arsenic oxoacid comprising one oxo group and three hydroxy groups attached to a central arsenic atom. ChEBI CHEBI:18231

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.88
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: 78 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) =  -3.14

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  640.51  (Adapted Stein & Brown method)
    Melting Pt (deg C):  278.23  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.75E-019  (Modified Grain method)
    Subcooled liquid VP: 3.59E-016 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1e+006
       log Kow used: -3.14 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  5.9e+005 mg/L ( deg C)
        Exper. Ref:  SHIU,WY ET AL. (1990)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  590000.00
       Exper. Ref:  SHIU,WY ET AL. (1990)

 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]:  1.074E-025 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)         :   0.6800
   Biowin2 (Non-Linear Model)     :   0.7297
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8855  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6429  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2899
   Biowin6 (MITI Non-Linear Model):   0.1719
 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):  4.79E-014 Pa (3.59E-016 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.27E+007 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.4200 E-12 cm3/molecule-sec
      Half-Life =    25.467 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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 = 0.500 (BCF = 3.162)
       log Kow used: -3.14 (estimated)

 Volatilization from Water:
    Henry LC:  1.07E-025 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River: 6.495E+021  hours   (2.706E+020 days)
    Half-Life from Model Lake : 7.086E+022  hours   (2.952E+021 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.24e-008       611          1000       
   Water     39              360          1000       
   Soil      60.9            720          1000       
   Sediment  0.0713          3.24e+003    0          
     Persistence Time: 579 hr

Click to predict properties on the Chemicalize site


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