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Search term: 130650-09-8 (Found by approved synonym)
ChemSpider 2D Image | MFCD00134551 | C11H22O2Si

MFCD00134551

  • Molecular FormulaC11H22O2Si
  • Average mass214.377 Da
  • Monoisotopic mass214.138901 Da
  • ChemSpider ID4345672

More details:

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

(3,4-Dihydro-2H-pyran-6-yloxy)(dimethyl)(2-methyl-2-propanyl)silan [German] [ACD/IUPAC Name]
(3,4-Dihydro-2H-pyran-6-yloxy)(dimethyl)(2-methyl-2-propanyl)silane [ACD/IUPAC Name]
(3,4-Dihydro-2H-pyran-6-yloxy)(diméthyl)(2-méthyl-2-propanyl)silane [French] [ACD/IUPAC Name]
130650-09-8 [RN]
6-(tert-Butyldimethylsilyloxy)-3,4-dihydro-2H-pyran
MFCD00134551
Silane, [(3,4-dihydro-2H-pyran-6-yl)oxy](1,1-dimethylethyl)dimethyl- [ACD/Index Name]
3,4-DIHYDRO-6-[(TERT-BUTYL)DIMETHYL SILYLOXY]-2H-PYRAN
3,4-Dihydro-6-[(tert-butyl)dimethylsilyloxy]-2H-pyran
6-(t-butyldimethylsiloxy)-3,4-dihydro-2h-pyran
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

381748_ALDRICH [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 234.0±29.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.2±3.0 kJ/mol
Flash Point: 76.1±24.7 °C
Index of Refraction: 1.451
Molar Refractivity: 62.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.94
ACD/KOC (pH 5.5): 1576.83
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.94
ACD/KOC (pH 7.4): 1576.83
Polar Surface Area: 18 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 25.0±5.0 dyne/cm
Molar Volume: 233.5±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) =  3.64

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  226.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  21.47  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0954  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  28.68
       log Kow used: 3.64 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  16756 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.15E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.383E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.64  (KowWin est)
  Log Kaw used:  -0.056  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.696
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1142
   Biowin2 (Non-Linear Model)     :   0.0056
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5046  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3753  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2109
   Biowin6 (MITI Non-Linear Model):   0.0734
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5868
 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):  11.9 Pa (0.0895 mm Hg)
  Log Koa (Koawin est  ): 3.696
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.51E-007 
       Octanol/air (Koa) model:  1.22E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.08E-006 
       Mackay model           :  2.01E-005 
       Octanol/air (Koa) model:  9.75E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 125.9485 E-12 cm3/molecule-sec
      Half-Life =     0.085 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.019 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     5.687500 E-17 cm3/molecule-sec
      Half-Life =     0.201 Days (at 7E11 mol/cm3)
      Half-Life =      4.836 Hrs
   Fraction sorbed to airborne particulates (phi): 1.46E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  529.7
      Log Koc:  2.724 

 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 = 2.103 (BCF = 126.8)
       log Kow used: 3.64 (estimated)

 Volatilization from Water:
    Henry LC:  0.0215 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.534  hours
    Half-Life from Model Lake :      139.5  hours   (5.813 days)

 Removal In Wastewater Treatment:
    Total removal:              90.12  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:     9.89  percent
    Total to Air:               80.17  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.722           1.43         1000       
   Water     34.7            900          1000       
   Soil      61              1.8e+003     1000       
   Sediment  3.51            8.1e+003     0          
     Persistence Time: 227 hr

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