ChemSpider 2D Image | Methoxy(dimethyl)(4-methylphenyl)silane | C10H16OSi

Methoxy(dimethyl)(4-methylphenyl)silane

  • Molecular FormulaC10H16OSi
  • Average mass180.319 Da
  • Monoisotopic mass180.097046 Da
  • ChemSpider ID126023

More details:

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

Benzene, 1-(methoxydimethylsilyl)-4-methyl- [ACD/Index Name]
Methoxy(dimethyl)(4-methylphenyl)silan [German] [ACD/IUPAC Name]
Methoxy(dimethyl)(4-methylphenyl)silane [ACD/IUPAC Name]
Méthoxy(diméthyl)(4-méthylphényl)silane [French] [ACD/IUPAC Name]
Silane, methoxydimethyl(4-methylphenyl)-
[51501-87-2] [RN]
2-Cyano-3-(thiazol-5-yl)acrylic acid
51501-87-2 [RN]
Dimethyl(4-methylphenyl)methoxysilane
Dimethylmethoxy(4-methylphenyl)silane
More...
  • Miscellaneous

    • Safety:

      26-37 Alfa Aesar H27943
      36/37/38 Alfa Aesar H27943
      H315-H319-H335 Alfa Aesar H27943
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H27943
      Warning Alfa Aesar H27943
      WARNING: Irritates lungs, eyes, skin Alfa Aesar H27943

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

Density: 0.9±0.1 g/cm3
Boiling Point: 208.0±19.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.6±3.0 kJ/mol
Flash Point: 72.4±11.7 °C
Index of Refraction: 1.477
Molar Refractivity: 55.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 359.83
ACD/KOC (pH 5.5): 2351.05
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 359.83
ACD/KOC (pH 7.4): 2351.05
Polar Surface Area: 9 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 25.3±5.0 dyne/cm
Molar Volume: 197.4±5.0 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) =  3.61

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  210.94  (Adapted Stein & Brown method)
    Melting Pt (deg C):  3.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.208  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  45.72
       log Kow used: 3.61 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1178.7 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.10E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.079E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.61  (KowWin est)
  Log Kaw used:  -1.347  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.957
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7164
   Biowin2 (Non-Linear Model)     :   0.7360
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7258  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5190  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2512
   Biowin6 (MITI Non-Linear Model):   0.1378
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1561
 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):  25.6 Pa (0.192 mm Hg)
  Log Koa (Koawin est  ): 4.957
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.17E-007 
       Octanol/air (Koa) model:  2.22E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.23E-006 
       Mackay model           :  9.37E-006 
       Octanol/air (Koa) model:  1.78E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   6.3551 E-12 cm3/molecule-sec
      Half-Life =     1.683 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    20.197 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 6.8E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3799
      Log Koc:  3.580 

 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 = 2.076 (BCF = 119.2)
       log Kow used: 3.61 (estimated)

 Volatilization from Water:
    Henry LC:  0.0011 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.085  hours
    Half-Life from Model Lake :      135.3  hours   (5.639 days)

 Removal In Wastewater Treatment:
    Total removal:              40.54  percent
    Total biodegradation:        0.16  percent
    Total sludge adsorption:    13.45  percent
    Total to Air:               26.93  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.76            40.4         1000       
   Water     11.4            900          1000       
   Soil      84.8            1.8e+003     1000       
   Sediment  1.07            8.1e+003     0          
     Persistence Time: 782 hr

Click to predict properties on the Chemicalize site


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