ChemSpider 2D Image | Tripropyl arsenate | C9H21AsO4

Tripropyl arsenate

  • Molecular FormulaC9H21AsO4
  • Average mass268.182 Da
  • Monoisotopic mass268.065582 Da
  • ChemSpider ID231032

More details:

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

Arsénate de tripropyle [French] [ACD/IUPAC Name]
Arsenic acid (H3AsO4), tripropyl ester [ACD/Index Name]
Tripropyl arsenate [ACD/IUPAC Name]
Tripropylarsenat [German] [ACD/IUPAC Name]
15606-96-9 [RN]
1566-68-3 [RN]
Arsenic acid (H3AsO4), tripropyl ester
Arsenic acid (H3AsO4),tripropyl ester (8CI,9CI)
Arsenic acid tripropyl ester
PROPYL ARSENATE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC97227 [DBID]

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

Density:
Boiling Point: 291.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.9±3.0 kJ/mol
Flash Point: 122.4±18.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 24.03
ACD/KOC (pH 5.5): 338.82
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 24.03
ACD/KOC (pH 7.4): 338.82
Polar Surface Area: 45 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) =  1.50

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  279.52  (Adapted Stein & Brown method)
    Melting Pt (deg C):  79.25  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00175  (Modified Grain method)
    Subcooled liquid VP: 0.00575 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):  984
       log Kow used: 1.50 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.0678e+005 mg/L

 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]:  6.276E-007 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)         :   0.6199
   Biowin2 (Non-Linear Model)     :   0.3101
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6065  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4608  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2120
   Biowin6 (MITI Non-Linear Model):   0.0704
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7533
 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):  0.767 Pa (0.00575 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.91E-006 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000141 
       Mackay model           :  0.000313 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  31.3323 E-12 cm3/molecule-sec
      Half-Life =     0.341 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.096 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000227 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.501E+004
      Log Koc:  4.176 

 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 = 0.453 (BCF = 2.839)
       log Kow used: 1.50 (estimated)

 Volatilization from Water:
    Henry LC:  6.28E-007 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:       1529  hours   (63.73 days)
    Half-Life from Model Lake : 1.682E+004  hours   (700.9 days)

 Removal In Wastewater Treatment:
    Total removal:               2.01  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.88  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.54            8.19         1000       
   Water     41.1            900          1000       
   Soil      58.2            1.8e+003     1000       
   Sediment  0.104           8.1e+003     0          
     Persistence Time: 683 hr

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