ChemSpider 2D Image | Arsolane | C4H9As

Arsolane

  • Molecular FormulaC4H9As
  • Average mass132.036 Da
  • Monoisotopic mass131.992020 Da
  • ChemSpider ID20152988

More details:






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

Arsolan [German] [ACD/IUPAC Name]
Arsolane [ACD/Index Name] [ACD/IUPAC Name]
Arsolane [French] [ACD/Index Name] [ACD/IUPAC Name]

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

Density:
Boiling Point: 122.6±7.0 °C at 760 mmHg
Vapour Pressure: 16.7±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.6±3.0 kJ/mol
Flash Point: 12.7±12.3 °C
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) =  2.64

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  106.75  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -40.50  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  28  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  498.9
       log Kow used: 2.64 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11132 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.98E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.751E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.64  (KowWin est)
  Log Kaw used:  0.908  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.732
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6847
   Biowin2 (Non-Linear Model)     :   0.7565
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9074  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6572  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3982
   Biowin6 (MITI Non-Linear Model):   0.4158
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3560
 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):  3.52E+003 Pa (26.4 mm Hg)
  Log Koa (Koawin est  ): 1.732
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.52E-010 
       Octanol/air (Koa) model:  1.32E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.08E-008 
       Mackay model           :  6.82E-008 
       Octanol/air (Koa) model:  1.06E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.8674 E-12 cm3/molecule-sec
      Half-Life =     2.766 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    33.188 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.95E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  89.71
      Log Koc:  1.953 

 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 = 1.335 (BCF = 21.65)
       log Kow used: 2.64 (estimated)

 Volatilization from Water:
    Henry LC:  0.198 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.176  hours
    Half-Life from Model Lake :      109.2  hours   (4.549 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.72  percent
    Total biodegradation:        0.02  percent
    Total sludge adsorption:     1.29  percent
    Total to Air:               97.41  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       38.2            66.4         1000       
   Water     58.8            360          1000       
   Soil      2.44            720          1000       
   Sediment  0.516           3.24e+003    0          
     Persistence Time: 105 hr




                    

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