ChemSpider 2D Image | Diglycidyl ether | C6H10O3

Diglycidyl ether

  • Molecular FormulaC6H10O3
  • Average mass130.142 Da
  • Monoisotopic mass130.062988 Da
  • ChemSpider ID15839

More details:






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

2,2'-(oxydimethanediyl)dioxirane
2,2'-(Oxydimethylen)dioxiran [German] [ACD/IUPAC Name]
2,2'-(Oxydiméthylène)dioxirane [French] [ACD/IUPAC Name]
2,2'-[Oxybis(methylene)]dioxirane [ACD/IUPAC Name]
218-802-6 [EINECS]
2238-07-5 [RN]
Bis-(2,3-epoxypropyl)ether
Bis(2-oxiranylmethyl) ether
Diallyl Ether Dioxide
Diepoxy propyl ether
More...

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

BRN 0105358 [DBID]
HSDB 342 [DBID]
NSC 54739 [DBID]
NSC54739 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 218.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.7±3.0 kJ/mol
Flash Point: 70.6±17.7 °C
Index of Refraction: 1.478
Molar Refractivity: 30.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.27
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.10
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.10
Polar Surface Area: 34 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 108.5±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -0.85

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  162.86  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -11.55  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.89  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.92e+005
       log Kow used: -0.85 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.28E-008  atm-m3/mole
   Group Method:   7.56E-011  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  1.006E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.85  (KowWin est)
  Log Kaw used:  -6.281  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.431
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3565
   Biowin2 (Non-Linear Model)     :   0.0001
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8856  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6307  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4925
   Biowin6 (MITI Non-Linear Model):   0.3823
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0448
 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):  352 Pa (2.64 mm Hg)
  Log Koa (Koawin est  ): 5.431
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.52E-009 
       Octanol/air (Koa) model:  6.62E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.08E-007 
       Mackay model           :  6.82E-007 
       Octanol/air (Koa) model:  5.3E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.0121 E-12 cm3/molecule-sec
      Half-Life =     0.712 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.550 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.95E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1
      Log Koc:  0.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Ka (acid-catalyzed) at 25 deg C :  5.015E-003  L/mol-sec
  Ka Half-Life at pH 7:      43.798  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.85 (estimated)

 Volatilization from Water:
    Henry LC:  1.28E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 5.218E+004  hours   (2174 days)
    Half-Life from Model Lake : 5.694E+005  hours   (2.372E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  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       0.264           17.1         1000       
   Water     40.1            360          1000       
   Soil      59.6            720          1000       
   Sediment  0.0734          3.24e+003    0          
     Persistence Time: 532 hr




                    

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