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Search term: C11H22O4Si (Found by molecular formula)
ChemSpider 2D Image | [Butyl(methyl)silanediyl]bis(methylene) diacetate | C11H22O4Si

[Butyl(methyl)silanediyl]bis(methylene) diacetate

  • Molecular FormulaC11H22O4Si
  • Average mass246.376 Da
  • Monoisotopic mass246.128738 Da
  • ChemSpider ID230885

More details:

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

[Butyl(methyl)silandiyl]dimethylen-diacetat [German] [ACD/IUPAC Name]
[Butyl(methyl)silanediyl]bis(methylene) diacetate [ACD/IUPAC Name]
Diacétate de [butyl(méthyl)silanediyl]diméthylène [French] [ACD/IUPAC Name]
Methanol, 1,1'-(butylmethylsilylene)bis-, diacetate [ACD/Index Name]
[BUTYL(METHYL)SILANEDIYL]DIMETHANEDIYL DIACETATE
2917-58-0 [RN]
2943-42-2 [RN]
METHANOL,(BUTYLMETHYLSILYLENE)DI-, DIACETATE (7CI,8CI)

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

NSC96859 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 284.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.4±3.0 kJ/mol
Flash Point: 104.8±15.9 °C
Index of Refraction: 1.430
Molar Refractivity: 65.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 252.71
ACD/KOC (pH 5.5): 1825.57
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 252.71
ACD/KOC (pH 7.4): 1825.57
Polar Surface Area: 53 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 27.4±3.0 dyne/cm
Molar Volume: 252.8±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) =  3.27

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  243.97  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -34.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0375  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  39.69
       log Kow used: 3.27 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.7362 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.93E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.063E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.27  (KowWin est)
  Log Kaw used:  -3.922  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.192
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.0870
   Biowin2 (Non-Linear Model)     :   0.9999
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2335  (weeks       )
   Biowin4 (Primary Survey Model) :   4.2193  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.9154
   Biowin6 (MITI Non-Linear Model):   0.9262
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6737
 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):  4.83 Pa (0.0362 mm Hg)
  Log Koa (Koawin est  ): 7.192
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.22E-007 
       Octanol/air (Koa) model:  3.82E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.24E-005 
       Mackay model           :  4.97E-005 
       Octanol/air (Koa) model:  0.000305 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.5145 E-12 cm3/molecule-sec
      Half-Life =     1.423 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.081 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.61E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  86.5
      Log Koc:  1.937 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.417E-001  L/mol-sec
  Kb Half-Life at pH 8:      33.193  days   
  Kb Half-Life at pH 7:     331.934  days   

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.820 (BCF = 66.11)
       log Kow used: 3.27 (estimated)

 Volatilization from Water:
    Henry LC:  2.93E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      315.3  hours   (13.14 days)
    Half-Life from Model Lake :       3571  hours   (148.8 days)

 Removal In Wastewater Treatment:
    Total removal:               8.91  percent
    Total biodegradation:        0.15  percent
    Total sludge adsorption:     8.61  percent
    Total to Air:                0.15  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.22            34.2         1000       
   Water     24.2            360          1000       
   Soil      72.9            720          1000       
   Sediment  0.679           3.24e+003    0          
     Persistence Time: 480 hr

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