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Search term: 123237-62-7 (Found by approved synonym)
ChemSpider 2D Image | MFCD01862148 | C9H20O2Si

MFCD01862148

  • Molecular FormulaC9H20O2Si
  • Average mass188.339 Da
  • Monoisotopic mass188.123260 Da
  • ChemSpider ID9129524

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

123237-62-7 [RN]
Dimethyl(2-methyl-2-propanyl)[(2S)-2-oxiranylmethoxy]silan [German] [ACD/IUPAC Name]
Dimethyl(2-methyl-2-propanyl)[(2S)-2-oxiranylmethoxy]silane [ACD/IUPAC Name]
Diméthyl(2-méthyl-2-propanyl)[(2S)-2-oxiranylméthoxy]silane [French] [ACD/IUPAC Name]
MFCD01862148
Silane, (1,1-dimethylethyl)dimethyl[(2S)-oxiranylmethoxy]- [ACD/Index Name]
tert-Butyl(dimethyl)[(2S)-oxiran-2-ylmethoxy]silane
tert-Butyldimethyl[((S)-oxiranyl)methoxy]silane
tert-Butyldimethylsilyl (S)-(+)-glycidyl ether
(S)-GLYCIDOXY-t-BUTYLDIMETHYLSILANE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

684333_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: 209.1±15.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.7±3.0 kJ/mol
Flash Point: 61.6±20.8 °C
Index of Refraction: 1.434
Molar Refractivity: 53.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.04
ACD/KOC (pH 5.5): 728.64
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.04
ACD/KOC (pH 7.4): 728.64
Polar Surface Area: 22 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 25.0±3.0 dyne/cm
Molar Volume: 206.5±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) =  2.74

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  174.31  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -8.41  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.27  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  227.4
       log Kow used: 2.74 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  31137 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.20E-005  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.384E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.74  (KowWin est)
  Log Kaw used:  -2.475  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.215
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1266
   Biowin2 (Non-Linear Model)     :   0.0080
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5622  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4128  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3045
   Biowin6 (MITI Non-Linear Model):   0.1207
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2078
 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):  153 Pa (1.15 mm Hg)
  Log Koa (Koawin est  ): 5.215
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.96E-008 
       Octanol/air (Koa) model:  4.03E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.07E-007 
       Mackay model           :  1.57E-006 
       Octanol/air (Koa) model:  3.22E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   8.3071 E-12 cm3/molecule-sec
      Half-Life =     1.288 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    15.451 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.14E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  155.7
      Log Koc:  2.192 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Ka (acid-catalyzed) at 25 deg C :  2.507E-003  L/mol-sec
  Ka Half-Life at pH 7:      87.596  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 1.412 (BCF = 25.85)
       log Kow used: 2.74 (estimated)

 Volatilization from Water:
    Henry LC:  8.2E-005 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       11.2  hours
    Half-Life from Model Lake :      237.2  hours   (9.885 days)

 Removal In Wastewater Treatment:
    Total removal:               7.90  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:     3.79  percent
    Total to Air:                4.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.72            30.9         1000       
   Water     18.2            900          1000       
   Soil      79.8            1.8e+003     1000       
   Sediment  0.238           8.1e+003     0          
     Persistence Time: 843 hr

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