ChemSpider 2D Image | Triphenylarsine | C18H15As

Triphenylarsine

  • Molecular FormulaC18H15As
  • Average mass306.233 Da
  • Monoisotopic mass306.038971 Da
  • ChemSpider ID11280

More details:



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

Arsine, triphenyl- [ACD/Index Name]
TRIPHENYLARSANE
Triphenylarsin [German] [ACD/IUPAC Name]
Triphenylarsine [ACD/IUPAC Name] [Wiki]
Triphénylarsine [French] [ACD/IUPAC Name]
210-032-9 [EINECS]
221122-22-1 [RN]
603-32-7 [RN]
Arsenic triphenyl
Arsinetriphenyl
More...

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

492736_ALDRICH [DBID]
AI3-28453 [DBID]
NSC 478 [DBID]
NSC478 [DBID]
T81906_ALDRICH [DBID]
  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Safety:

      20/21-28-45-60-61 Alfa Aesar L03616
      20/21-28a-45-60-61 Alfa Aesar L03616
      23/25-50/53 Alfa Aesar L03616
      6.1 Alfa Aesar L03616
      Danger Alfa Aesar L03616
      DANGER: Possible cancer risk Alfa Aesar L03616
      H301-H331-H400-H410 Alfa Aesar L03616
      HARMFUL TO THE ENVIRONMENT / TOXIC Alfa Aesar L03616
      P261-P301+P310-P304+P340-P311-P405-P501a Alfa Aesar L03616
  • Gas Chromatography
    • Retention Index (Normal Alkane):

      2195 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 40 C; End T: 280 C; End time: 10 min; Start time: 1 min; CAS no: 603327; Active phase: DB-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Tornes, J.A.; Opstad, A.M.; Johnsen, B.A., Determination of organoarsenic warfare agents in sediment samples from Skagerrak by gas chromatography-mass spectrometry, Sci. Total Environ., 356, 2006, 235-246.) NIST Spectra nist ri

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

Density:
Boiling Point: 373.0±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.6±3.0 kJ/mol
Flash Point: 174.6±14.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#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) =  5.97

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  401.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  109.10  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.53E-005  (Modified Grain method)
    MP  (exp database):  61 deg C
    BP  (exp database):  360 deg C
    VP  (exp database):  4.96E-05 mm Hg at 25 deg C
    Subcooled liquid VP: 0.000113 mm Hg (25 deg C, exp database VP )

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.08982
       log Kow used: 5.97 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.11953 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.51E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.584E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.97  (KowWin est)
  Log Kaw used:  -2.734  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  8.704
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9860
   Biowin2 (Non-Linear Model)     :   0.9830
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5884  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4206  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0757
   Biowin6 (MITI Non-Linear Model):   0.0108
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0592
 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):  0.0151 Pa (0.000113 mm Hg)
  Log Koa (Koawin est  ): 8.704
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000199 
       Octanol/air (Koa) model:  0.000124 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00714 
       Mackay model           :  0.0157 
       Octanol/air (Koa) model:  0.00984 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.8495 E-12 cm3/molecule-sec
      Half-Life =     1.829 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    21.942 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0114 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4.445E+005
      Log Koc:  5.648 

 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 = 3.898 (BCF = 7901)
       log Kow used: 5.97 (estimated)

 Volatilization from Water:
    Henry LC:  4.51E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       24.5  hours   (1.021 days)
    Half-Life from Model Lake :        414  hours   (17.25 days)

 Removal In Wastewater Treatment:
    Total removal:              92.03  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    91.21  percent
    Total to Air:                0.05  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.575           43.9         1000       
   Water     4.13            900          1000       
   Soil      37.1            1.8e+003     1000       
   Sediment  58.2            8.1e+003     0          
     Persistence Time: 2.35e+003 hr




                    

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