ChemSpider 2D Image | VS6870000 | C4H10Se

VS6870000

  • Molecular FormulaC4H10Se
  • Average mass137.082 Da
  • Monoisotopic mass137.994766 Da
  • ChemSpider ID55119

More details:






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

(Ethylselanyl)ethan [German] [ACD/IUPAC Name]
(Ethylselanyl)ethane [ACD/IUPAC Name]
(Éthylsélanyl)éthane [French] [ACD/IUPAC Name]
627-53-2 [RN]
Diethyl selenide
diethylselenide
Ethane, 1,1'-selenobis- [ACD/Index Name]
Ethyl selenide
MFCD00015103
VS6870000
More...

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

550434_ALDRICH [DBID]
BRN 1696913 [DBID]
TL 264 [DBID]

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

Density:
Boiling Point: 108.0±9.0 °C at 760 mmHg
Vapour Pressure: 30.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 33.2±3.0 kJ/mol
Flash Point: 19.1±18.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.80
ACD/KOC (pH 5.5): 137.33
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.80
ACD/KOC (pH 7.4): 137.33
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) =  1.31

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  115.23  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -44.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  19.3  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6605
       log Kow used: 1.31 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4673.3 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.25E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.270E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.31  (KowWin est)
  Log Kaw used:  -1.036  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.346
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6823
   Biowin2 (Non-Linear Model)     :   0.7431
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8962  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6500  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4040
   Biowin6 (MITI Non-Linear Model):   0.3696
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7289
 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):  2.41E+003 Pa (18.1 mm Hg)
  Log Koa (Koawin est  ): 2.346
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.24E-009 
       Octanol/air (Koa) model:  5.45E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.49E-008 
       Mackay model           :  9.94E-008 
       Octanol/air (Koa) model:  4.36E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  79.9050 E-12 cm3/molecule-sec
      Half-Life =     0.134 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.606 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 7.22E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  80.77
      Log Koc:  1.907 

 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 = 0.305 (BCF = 2.021)
       log Kow used: 1.31 (estimated)

 Volatilization from Water:
    Henry LC:  0.00225 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.499  hours
    Half-Life from Model Lake :      114.5  hours   (4.772 days)

 Removal In Wastewater Treatment:
    Total removal:              48.27  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     1.11  percent
    Total to Air:               47.10  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.03            3.21         1000       
   Water     75.9            360          1000       
   Soil      20              720          1000       
   Sediment  0.166           3.24e+003    0          
     Persistence Time: 87 hr




                    

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