ChemSpider 2D Image | 2-Trimethylsilanylanisole | C10H16OSi

2-Trimethylsilanylanisole

  • Molecular FormulaC10H16OSi
  • Average mass180.319 Da
  • Monoisotopic mass180.097046 Da
  • ChemSpider ID9144323

More details:

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

(2-Methoxyphenyl)(trimethyl)silan [German] [ACD/IUPAC Name]
(2-Methoxyphenyl)(trimethyl)silane [ACD/IUPAC Name]
(2-Méthoxyphényl)(triméthyl)silane [French] [ACD/IUPAC Name]
1-Methoxy-2-(trimethylsilyl)benzene
2-Trimethylsilanylanisole
704-43-8 [RN]
Benzene, 1-methoxy-2-(trimethylsilyl)- [ACD/Index Name]
(2-methoxyphenyl)-trimethylsilane
(2-Methoxyphenyl)-trimethyl-silane
2-(Trimethylsilyl)anisole
More...

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

    Density: 0.9±0.1 g/cm3
    Boiling Point: 225.7±23.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.3±3.0 kJ/mol
    Flash Point: 68.4±23.0 °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: 4.64
    ACD/LogD (pH 5.5): 4.32
    ACD/BCF (pH 5.5): 1126.63
    ACD/KOC (pH 5.5): 5321.87
    ACD/LogD (pH 7.4): 4.32
    ACD/BCF (pH 7.4): 1126.63
    ACD/KOC (pH 7.4): 5321.87
    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) =  4.40

 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):  9.667
       log Kow used: 4.40 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  98.809 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.06E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.105E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.40  (KowWin est)
  Log Kaw used:  -1.482  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.882
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7936
   Biowin2 (Non-Linear Model)     :   0.9368
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7426  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.6647  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4054
   Biowin6 (MITI Non-Linear Model):   0.3102
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3141
 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  ): 5.882
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.17E-007 
       Octanol/air (Koa) model:  1.87E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.23E-006 
       Mackay model           :  9.37E-006 
       Octanol/air (Koa) model:  1.5E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  22.7824 E-12 cm3/molecule-sec
      Half-Life =     0.469 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.634 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    :  858
      Log Koc:  2.933 

 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 = 2.685 (BCF = 483.9)
       log Kow used: 4.40 (estimated)

 Volatilization from Water:
    Henry LC:  0.000806 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.346  hours
    Half-Life from Model Lake :      138.2  hours   (5.758 days)

 Removal In Wastewater Treatment:
    Total removal:              59.67  percent
    Total biodegradation:        0.41  percent
    Total sludge adsorption:    46.40  percent
    Total to Air:               12.86  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.729           11.3         1000       
   Water     9.14            900          1000       
   Soil      84.7            1.8e+003     1000       
   Sediment  5.45            8.1e+003     0          
     Persistence Time: 986 hr

    Click to predict properties on the Chemicalize site


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