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Search term: MF = 'C_{8}H_{20}OSi'

ChemSpider 2D Image | (2,2-Dimethylpropoxy)(trimethyl)silane | C8H20OSi

(2,2-Dimethylpropoxy)(trimethyl)silane

  • Molecular FormulaC8H20OSi
  • Average mass160.329 Da
  • Monoisotopic mass160.128342 Da
  • ChemSpider ID480526

More details:






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

(2,2-Dimethylpropoxy)(trimethyl)silan [German] [ACD/IUPAC Name]
(2,2-Dimethylpropoxy)(trimethyl)silane [ACD/IUPAC Name]
(2,2-Diméthylpropoxy)(triméthyl)silane [French] [ACD/IUPAC Name]
Silane, (2,2-dimethylpropoxy)trimethyl- [ACD/Index Name]
(2,2-Dimethylpropoxy)trimethylsilane
18246-63-4 [RN]
1-trimethylsilyloxy-2,2-dimethylpropane
2,2-dimethylpropoxy-trimethyl-silane
Neopentyl alcohol, trimethylsilyl ether
Neopentyl trimethylsilyl ether
More...

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

  • Gas Chromatography
    • Retention Index (Kovats):

      718 (estimated with error: 89) NIST Spectra mainlib_333001, replib_5742, replib_157395
    • Retention Index (Linear):

      778 (Program type: Complex; Column... (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: Multi-step temperature program; T(initial)=60C; T(final)=270C; CAS no: 18246634; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Tret'yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., 2007.) NIST Spectra nist ri

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

Density: 0.8±0.1 g/cm3
Boiling Point: 128.6±8.0 °C at 760 mmHg
Vapour Pressure: 12.9±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.1±3.0 kJ/mol
Flash Point: 16.5±7.6 °C
Index of Refraction: 1.404
Molar Refractivity: 49.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.78
ACD/KOC (pH 5.5): 1157.91
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.78
ACD/KOC (pH 7.4): 1157.91
Polar Surface Area: 9 Å2
Polarizability: 19.6±0.5 10-24cm3
Surface Tension: 19.2±3.0 dyne/cm
Molar Volume: 202.7±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) =  3.69

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  120.26  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -52.08  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  15.5  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  47.68
       log Kow used: 3.69 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  4862.3 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.03E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.858E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.69  (KowWin est)
  Log Kaw used:  0.313  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.377
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4873
   Biowin2 (Non-Linear Model)     :   0.2707
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6327  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4630  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3546
   Biowin6 (MITI Non-Linear Model):   0.2390
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0504
 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):  1.92E+003 Pa (14.4 mm Hg)
  Log Koa (Koawin est  ): 3.377
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.56E-009 
       Octanol/air (Koa) model:  5.85E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.64E-008 
       Mackay model           :  1.25E-007 
       Octanol/air (Koa) model:  4.68E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.9584 E-12 cm3/molecule-sec
      Half-Life =     1.344 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.128 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 9.07E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  725.3
      Log Koc:  2.861 

 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 = 2.145 (BCF = 139.7)
       log Kow used: 3.69 (estimated)

 Volatilization from Water:
    Henry LC:  0.0503 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.307  hours
    Half-Life from Model Lake :      120.4  hours   (5.018 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.49  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:    10.36  percent
    Total to Air:               85.08  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       14.2            32.3         1000       
   Water     42              900          1000       
   Soil      39.1            1.8e+003     1000       
   Sediment  4.77            8.1e+003     0          
     Persistence Time: 186 hr




                    

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