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Search term: MF = 'C_{5}H_{15}AsO'
ChemSpider 2D Image | 2-(Trimethylarsoranyl)ethanol | C5H15AsO

2-(Trimethylarsoranyl)ethanol

  • Molecular FormulaC5H15AsO
  • Average mass166.094 Da
  • Monoisotopic mass166.033890 Da
  • ChemSpider ID380804

More details:

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

2-(Trimethylarsoranyl)ethanol [German] [ACD/IUPAC Name]
2-(Trimethylarsoranyl)ethanol [ACD/IUPAC Name]
2-(Triméthylarsoranyl)éthanol [French] [ACD/IUPAC Name]
2-(Trimethyl-λ5-Arsanyl)ethanol
Ethanol, 2-(trimethylarsoranyl)- [ACD/Index Name]
1Y8

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: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#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: 20 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) =  4.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  47.12  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -16.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  328  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  14.08
       log Kow used: 4.28 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  30.619 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]:  5.091E+000 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)         :  -0.2512
   Biowin2 (Non-Linear Model)     :   0.0003
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.7715  (months      )
   Biowin4 (Primary Survey Model) :   2.8409  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5561
   Biowin6 (MITI Non-Linear Model):   0.4318
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8351
 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):  4.33E+004 Pa (325 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.92E-011 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.5E-009 
       Mackay model           :  5.54E-009 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.02E-009 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  178.2
      Log Koc:  2.251 

 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 = 2.599 (BCF = 396.8)
       log Kow used: 4.28 (estimated)

 Volatilization from Water:
    Henry LC:  5.09 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.315  hours
    Half-Life from Model Lake :      122.4  hours   (5.101 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.96  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:    25.89  percent
    Total to Air:               73.99  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       39              1e+005       1000       
   Water     37.4            1.44e+003    1000       
   Soil      1.65            2.88e+003    1000       
   Sediment  22              1.3e+004     0          
     Persistence Time: 223 hr

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