Found 49 results

Search term: MF = 'C_{6}H_{14}OSi'
ChemSpider 2D Image | 2,2-Dimethyl-1,2-oxasilinane | C6H14OSi

2,2-Dimethyl-1,2-oxasilinane

  • Molecular FormulaC6H14OSi
  • Average mass130.260 Da
  • Monoisotopic mass130.081390 Da
  • ChemSpider ID72197

More details:

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

1-Oxa-2-silacyclohexane, 2,2-dimethyl- [ACD/Index Name]
2,2-Dimethyl-1,2-oxasilinan [German] [ACD/IUPAC Name]
2,2-Dimethyl-1,2-oxasilinane [ACD/IUPAC Name]
2,2-Diméthyl-1,2-oxasilinane [French] [ACD/IUPAC Name]
2,2-dimethyl-1-oxa-2-silacyclohexane
227-416-7 [EINECS]
5833-47-6 [RN]
1,1-DIMETHYL-1-SILA-2-OXACYCLOHEXANE
1-OXA-2-SILACYCLOHEXANE, 3,4-DIHYDRO-2,2-DIMETHYL-
2,2-dimethyloxasilinane
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: 137.2±8.0 °C at 760 mmHg
    Vapour Pressure: 8.8±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 35.9±3.0 kJ/mol
    Flash Point: 25.0±8.7 °C
    Index of Refraction: 1.421
    Molar Refractivity: 38.3±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations:
    ACD/LogP:
    ACD/LogD (pH 5.5):
    ACD/BCF (pH 5.5):
    ACD/KOC (pH 5.5):
    ACD/LogD (pH 7.4):
    ACD/BCF (pH 7.4):
    ACD/KOC (pH 7.4):
    Polar Surface Area: 9 Å2
    Polarizability: 15.2±0.5 10-24cm3
    Surface Tension: 20.4±5.0 dyne/cm
    Molar Volume: 151.0±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) =  2.71

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  103.53  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -19.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  32.2  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  443.6
       log Kow used: 2.71 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  47071 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.26E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.244E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.71  (KowWin est)
  Log Kaw used:  -0.288  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.998
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6855
   Biowin2 (Non-Linear Model)     :   0.7611
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9113  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6598  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4043
   Biowin6 (MITI Non-Linear Model):   0.4378
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1969
 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):  4.07E+003 Pa (30.5 mm Hg)
  Log Koa (Koawin est  ): 2.998
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.38E-010 
       Octanol/air (Koa) model:  2.44E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.66E-008 
       Mackay model           :  5.9E-008 
       Octanol/air (Koa) model:  1.95E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  14.0046 E-12 cm3/molecule-sec
      Half-Life =     0.764 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.165 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.28E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  393.3
      Log Koc:  2.595 

 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 = 1.388 (BCF = 24.42)
       log Kow used: 2.71 (estimated)

 Volatilization from Water:
    Henry LC:  0.0126 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.218  hours
    Half-Life from Model Lake :        109  hours   (4.541 days)

 Removal In Wastewater Treatment:
    Total removal:              83.30  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     1.83  percent
    Total to Air:               81.44  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       14.8            18.3         1000       
   Water     56              360          1000       
   Soil      28.7            720          1000       
   Sediment  0.554           3.24e+003    0          
     Persistence Time: 111 hr

    Click to predict properties on the Chemicalize site


    Advertisement