ChemSpider 2D Image | 4Z7627500U | C2H5AsCl2

4Z7627500U

  • Molecular FormulaC2H5AsCl2
  • Average mass174.889 Da
  • Monoisotopic mass173.898422 Da
  • ChemSpider ID11219

More details:






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

209-919-3 [EINECS]
4Z7627500U
598-14-1 [RN]
Arsonous dichloride, N-ethyl- [ACD/Index Name]
Dichloroethylarsine
Dichlorure d'éthylarsoneux [French] [ACD/IUPAC Name]
Ethylarsonigdichlorid [German] [ACD/IUPAC Name]
Ethylarsonous dichloride [ACD/IUPAC Name]
3-04-00-01799 [Beilstein]
3-04-00-01799 (Beilstein Handbook Reference) [Beilstein]
More...

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

BRN 1731722 [DBID]
HSDB 424 [DBID]
TL 214 [DBID]
UN1892 [DBID]

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

Density:
Boiling Point: 159.8±9.0 °C at 760 mmHg
Vapour Pressure: 3.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.0±3.0 kJ/mol
Flash Point: 55.6±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) =  2.34

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  115.13  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -36.91  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  19.4  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -65 deg C
    BP  (exp database):  156 dec deg C
    VP  (exp database):  2.29E+00 mm Hg at 22 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  587.6
       log Kow used: 2.34 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  11463 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.90E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.598E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.34  (KowWin est)
  Log Kaw used:  -1.618  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.958
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6643
   Biowin2 (Non-Linear Model)     :   0.6284
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8127  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5954  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2417
   Biowin6 (MITI Non-Linear Model):   0.1116
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7825
 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):  305 Pa (2.29 mm Hg)
  Log Koa (Koawin est  ): 3.958
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  9.83E-009 
       Octanol/air (Koa) model:  2.23E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.55E-007 
       Mackay model           :  7.86E-007 
       Octanol/air (Koa) model:  1.78E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.4749 E-12 cm3/molecule-sec
      Half-Life =     7.252 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    87.025 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.7E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  67.7
      Log Koc:  1.831 

 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 = 1.100 (BCF = 12.59)
       log Kow used: 2.34 (estimated)

 Volatilization from Water:
    Henry LC:  0.00059 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.662  hours
    Half-Life from Model Lake :      139.9  hours   (5.83 days)

 Removal In Wastewater Treatment:
    Total removal:              22.52  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:     2.23  percent
    Total to Air:               20.21  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       15.7            174          1000       
   Water     26.8            360          1000       
   Soil      57.3            720          1000       
   Sediment  0.146           3.24e+003    0          
     Persistence Time: 283 hr




                    

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