ChemSpider 2D Image | BIS(METHOXYMETHYL)ETHER | C4H10O3

BIS(METHOXYMETHYL)ETHER

  • Molecular FormulaC4H10O3
  • Average mass106.120 Da
  • Monoisotopic mass106.062996 Da
  • ChemSpider ID11856

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BIS(METHOXYMETHYL)ETHER
Methane, 1,1'-oxybis[1-methoxy- [ACD/Index Name]
Methoxy(methoxymethoxy)methan [German] [ACD/IUPAC Name]
Methoxy(methoxymethoxy)methane [ACD/IUPAC Name]
Méthoxy(méthoxyméthoxy)méthane [French] [ACD/IUPAC Name]
628-90-0 [RN]
MFCD28016377 [MDL number]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 64.1±15.0 °C at 760 mmHg
Vapour Pressure: 178.8±0.1 mmHg at 25°C
Enthalpy of Vaporization: 29.4±3.0 kJ/mol
Flash Point: 7.3±15.9 °C
Index of Refraction: 1.372
Molar Refractivity: 25.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.08
ACD/LogD (pH 5.5): 0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 29.76
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 29.76
Polar Surface Area: 28 Å2
Polarizability: 10.2±0.5 10-24cm3
Surface Tension: 23.5±3.0 dyne/cm
Molar Volume: 113.7±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) =  -0.46

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  98.96  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -63.75  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  45  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.75e+005
       log Kow used: -0.46 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.7819e+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 :   5.92E-007  atm-m3/mole
   Group Method:   8.29E-005  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.285E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.46  (KowWin est)
  Log Kaw used:  -4.616  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.156
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.3451
   Biowin2 (Non-Linear Model)     :   0.0002
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9386  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6654  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.5005
   Biowin6 (MITI Non-Linear Model):   0.5096
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0428
 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):  5.72E+003 Pa (42.9 mm Hg)
  Log Koa (Koawin est  ): 4.156
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.24E-010 
       Octanol/air (Koa) model:  3.52E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.89E-008 
       Mackay model           :  4.2E-008 
       Octanol/air (Koa) model:  2.81E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.4961 E-12 cm3/molecule-sec
      Half-Life =     1.259 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.107 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.05E-008 (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]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -0.46 (estimated)

 Volatilization from Water:
    Henry LC:  5.92E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1020  hours   (42.49 days)
    Half-Life from Model Lake : 1.121E+004  hours   (467.2 days)

 Removal In Wastewater Treatment:
    Total removal:               1.88  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.03  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.59            30.2         1000       
   Water     45.8            360          1000       
   Soil      51.5            720          1000       
   Sediment  0.0841          3.24e+003    0          
     Persistence Time: 372 hr




                    

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