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Search term: 1066-40-6 (Found by approved synonym)
ChemSpider 2D Image | Trimethylsilanol | C3H10OSi

Trimethylsilanol

  • Molecular FormulaC3H10OSi
  • Average mass90.196 Da
  • Monoisotopic mass90.050095 Da
  • ChemSpider ID59498

More details:

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

Trimethylsilanol [ACD/IUPAC Name]
1066-40-6 [RN]
213-914-1 [EINECS]
hydroxytrimethylsilane
MFCD02751657 [MDL number]
Silanol, 1,1,1-trimethyl- [ACD/Index Name]
TMS
TMSiOH
Trimethylhydroxysilane
Trimethylsilanol [German] [ACD/IUPAC Name]
More...

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

CCRIS 1320 [DBID]
NSC408673 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
  • Gas Chromatography

    • Retention Index (Kovats):

      369 (estimated with error: 89) NIST Spectra mainlib_141238, replib_61530, replib_226640

    • Retention Index (Normal Alkane):

      584 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 1066406; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri
      567 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; CAS no: 1066406; Active phase: DB-1; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, , 1994, 549-568.) 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: 75.0±9.0 °C at 760 mmHg
Vapour Pressure: 73.9±0.3 mmHg at 25°C
Enthalpy of Vaporization: 36.9±6.0 kJ/mol
Flash Point: -0.9±18.7 °C
Index of Refraction: 1.387
Molar Refractivity: 26.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.77
ACD/KOC (pH 5.5): 89.95
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 89.95
Polar Surface Area: 20 Å2
Polarizability: 10.4±0.5 10-24cm3
Surface Tension: 17.4±3.0 dyne/cm
Molar Volume: 111.3±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) =  1.14

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  107.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -66.01  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  13.8  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.256e+004
       log Kow used: 1.14 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.06E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.848E-005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.14  (KowWin est)
  Log Kaw used:  -2.684  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.824
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7046
   Biowin2 (Non-Linear Model)     :   0.8491
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9998  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7176  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4450
   Biowin6 (MITI Non-Linear Model):   0.4950
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5974
 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):  1.72E+003 Pa (12.9 mm Hg)
  Log Koa (Koawin est  ): 3.824
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.74E-009 
       Octanol/air (Koa) model:  1.64E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.3E-008 
       Mackay model           :  1.4E-007 
       Octanol/air (Koa) model:  1.31E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.8988 E-12 cm3/molecule-sec
      Half-Life =     2.743 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    32.921 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.01E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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 = 0.180 (BCF = 1.512)
       log Kow used: 1.14 (estimated)

 Volatilization from Water:
    Henry LC:  5.06E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      11.96  hours
    Half-Life from Model Lake :      210.1  hours   (8.754 days)

 Removal In Wastewater Treatment:
    Total removal:               4.50  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  percent
    Total to Air:                2.64  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       7.34            65           1000       
   Water     41.7            360          1000       
   Soil      50.9            720          1000       
   Sediment  0.0862          3.24e+003    0          
     Persistence Time: 310 hr

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