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ChemSpider 2D Image | (4E,6E)-4-Methoxy-6-(methoxymethylene)-2,2,8,8-tetramethyl-3,7-dioxa-2,8-disilanon-4-ene | C12H26O4Si2

(4E,6E)-4-Methoxy-6-(methoxymethylene)-2,2,8,8-tetramethyl-3,7-dioxa-2,8-disilanon-4-ene

  • Molecular FormulaC12H26O4Si2
  • Average mass290.503 Da
  • Monoisotopic mass290.136963 Da
  • ChemSpider ID9372122
  • Double-bond stereo - Double-bond stereo


More details:






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

(4E,6E)-4-Methoxy-6-(methoxymethylen)-2,2,8,8-tetramethyl-3,7-dioxa-2,8-disilanon-4-en [German] [ACD/IUPAC Name]
(4E,6E)-4-Methoxy-6-(methoxymethylene)-2,2,8,8-tetramethyl-3,7-dioxa-2,8-disilanon-4-ene [ACD/IUPAC Name]
(4E,6E)-4-Méthoxy-6-(méthoxyméthylène)-2,2,8,8-tétraméthyl-3,7-dioxa-2,8-disilanon-4-ène [French] [ACD/IUPAC Name]
3,7-Dioxa-2,8-disilanon-4-ene, 4-methoxy-6-(methoxymethylene)-2,2,8,8-tetramethyl-, (4E,6E)- [ACD/Index Name]
1,4-dimethoxy-1,3-bis(trimethylsilyloxy)-1,3-butadiene

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

Density: 0.9±0.1 g/cm3
Boiling Point: 278.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 49.7±3.0 kJ/mol
Flash Point: 103.5±27.7 °C
Index of Refraction: 1.440
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 210.35
ACD/KOC (pH 5.5): 1600.90
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 210.35
ACD/KOC (pH 7.4): 1600.90
Polar Surface Area: 37 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 22.2±3.0 dyne/cm
Molar Volume: 310.4±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) =  2.48

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  274.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  23.52  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00724  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  107.2
       log Kow used: 2.48 (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:
       Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.04E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.582E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.48  (KowWin est)
  Log Kaw used:  -1.079  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.559
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0855
   Biowin2 (Non-Linear Model)     :   0.0003
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5398  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4091  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1335
   Biowin6 (MITI Non-Linear Model):   0.0028
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4620
 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):  1 Pa (0.00751 mm Hg)
  Log Koa (Koawin est  ): 3.559
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3E-006 
       Octanol/air (Koa) model:  8.89E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000108 
       Mackay model           :  0.00024 
       Octanol/air (Koa) model:  7.11E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 441.9568 E-12 cm3/molecule-sec
      Half-Life =     0.024 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.425 Min
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    20.250000 E-17 cm3/molecule-sec
      Half-Life =     0.057 Days (at 7E11 mol/cm3)
      Half-Life =      1.358 Hrs
   Fraction sorbed to airborne particulates (phi): 0.000174 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  243.4
      Log Koc:  2.386 

 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 = 1.206 (BCF = 16.07)
       log Kow used: 2.48 (estimated)

 Volatilization from Water:
    Henry LC:  0.00204 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.228  hours
    Half-Life from Model Lake :      167.2  hours   (6.968 days)

 Removal In Wastewater Treatment:
    Total removal:              46.41  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     2.04  percent
    Total to Air:               44.30  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.238           0.407        1000       
   Water     43.2            900          1000       
   Soil      56.2            1.8e+003     1000       
   Sediment  0.342           8.1e+003     0          
     Persistence Time: 197 hr




                    

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