Found 10 results

Search term: MF = 'C_{10}H_{16}N_{6}O_{6}'
ChemSpider 2D Image | 1,2-Ethanediylbis(oxy-2,1-ethanediyl) bis(azidoacetate) | C10H16N6O6

1,2-Ethanediylbis(oxy-2,1-ethanediyl) bis(azidoacetate)

  • Molecular FormulaC10H16N6O6
  • Average mass316.271 Da
  • Monoisotopic mass316.113129 Da
  • ChemSpider ID8885832

More details:

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

1,2-Ethandiylbis(oxy-2,1-ethandiyl)-bis(azidoacetat) [German] [ACD/IUPAC Name]
1,2-Ethanediylbis(oxy-2,1-ethanediyl) bis(azidoacetate) [ACD/IUPAC Name]
Acetic acid, 2-azido-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester [ACD/Index Name]
Bis(azidoacétate) de 1,2-éthanediylbis(oxy-2,1-éthanediyle) [French] [ACD/IUPAC Name]

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: 12
#H bond donors: 0
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: -0.21
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 55.63
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.93
ACD/KOC (pH 7.4): 55.63
Polar Surface Area: 96 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) =  -12.95

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  706.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  308.99  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.4E-017  (Modified Grain method)
    Subcooled liquid VP: 1.13E-013 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):  1e+006
       log Kow used: -12.95 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  42302 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Esters
       Surfactants-cationic
       Surfactants-nonionic

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.87E-020  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.099E-023 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -12.95  (KowWin est)
  Log Kaw used:  -17.620  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.670
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2497
   Biowin2 (Non-Linear Model)     :   0.4475
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7589  (weeks       )
   Biowin4 (Primary Survey Model) :   3.8270  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8417
   Biowin6 (MITI Non-Linear Model):   0.8463
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4355
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.51E-011 Pa (1.13E-013 mm Hg)
  Log Koa (Koawin est  ): 4.670
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.99E+005 
       Octanol/air (Koa) model:  1.15E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1 
       Mackay model           :  1 
       Octanol/air (Koa) model:  9.19E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  32.2865 E-12 cm3/molecule-sec
      Half-Life =     0.331 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.975 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.501E+000  L/mol-sec
  Kb Half-Life at pH 8:       3.207  days   
  Kb Half-Life at pH 7:      32.074  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -12.95 (estimated)

 Volatilization from Water:
    Henry LC:  5.87E-020 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.779E+016  hours   (7.414E+014 days)
    Half-Life from Model Lake : 1.941E+017  hours   (8.088E+015 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.61e-005       7.95         1000       
   Water     39              360          1000       
   Soil      60.9            720          1000       
   Sediment  0.0713          3.24e+003    0          
     Persistence Time: 579 hr

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