ChemSpider 2D Image | Dimethyl(phenyl)silyl | C8H11Si

Dimethyl(phenyl)silyl

  • Molecular FormulaC8H11Si
  • Average mass135.258 Da
  • Monoisotopic mass135.063004 Da
  • ChemSpider ID4886115

More details:






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

Dimethyl(phenyl)silyl [ACD/IUPAC Name]
Dimethyl(phenyl)silyl [German] [ACD/IUPAC Name]
Diméthyl(phényl)silyl [French] [ACD/IUPAC Name]
Silyl, dimethylphenyl- [ACD/Index Name]
212-170-5 [EINECS]
766-77-8 [RN]
dimethyl-phenylsilicon

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

No predicted properties have been calculated for this compound.

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.77
    Log Kow (Exper. database match) =  3.99
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  170.59  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -52.69  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.96  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  156.5 deg C
    VP  (exp database):  3.67E+00 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  33.95
       log Kow used: 3.99 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  332.51 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   9.89E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.563E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.99  (exp database)
  Log Kaw used:  -0.393  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.383
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8108
   Biowin2 (Non-Linear Model)     :   0.9465
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9200  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6560  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3486
   Biowin6 (MITI Non-Linear Model):   0.3168
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4180
 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):  489 Pa (3.67 mm Hg)
  Log Koa (Koawin est  ): 4.383
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.13E-009 
       Octanol/air (Koa) model:  5.93E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.21E-007 
       Mackay model           :  4.9E-007 
       Octanol/air (Koa) model:  4.74E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.2490 E-12 cm3/molecule-sec
      Half-Life =     4.756 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    57.069 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.56E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  817.2
      Log Koc:  2.912 

 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 = 2.372 (BCF = 235.7)
       log Kow used: 3.99 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00989 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.26  hours
    Half-Life from Model Lake :      111.6  hours   (4.651 days)

 Removal In Wastewater Treatment:
    Total removal:              82.92  percent
    Total biodegradation:        0.12  percent
    Total sludge adsorption:    19.85  percent
    Total to Air:               62.95  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       10.4            114          1000       
   Water     17.9            360          1000       
   Soil      69.4            720          1000       
   Sediment  2.23            3.24e+003    0          
     Persistence Time: 348 hr




                    

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