ChemSpider 2D Image | MFCD00192331 | C7H16OSi

MFCD00192331

  • Molecular FormulaC7H16OSi
  • Average mass144.287 Da
  • Monoisotopic mass144.097046 Da
  • ChemSpider ID90061

More details:

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

2-Methyl-1-(trimethylsilyloxy)-1-propene
6651-34-9 [RN]
MFCD00192331
Silane, trimethyl((2-methyl-1-propenyl)oxy)-
Silane, trimethyl[(2-methyl-1-propen-1-yl)oxy]- [ACD/Index Name]
Trimethyl[(2-methyl-1-propen-1-yl)oxy]silan [German] [ACD/IUPAC Name]
Trimethyl[(2-methyl-1-propen-1-yl)oxy]silane [ACD/IUPAC Name]
Triméthyl[(2-méthyl-1-propén-1-yl)oxy]silane [French] [ACD/IUPAC Name]
trimethyl[(2-methylprop-1-en-1-yl)oxy]silane
2-METHYL-1- -1-PROPENE
More...

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

409235_ALDRICH [DBID]
NSC266194 [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 119.3±8.0 °C at 760 mmHg
Vapour Pressure: 19.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.3±3.0 kJ/mol
Flash Point: 15.6±8.3 °C
Index of Refraction: 1.414
Molar Refractivity: 44.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.29
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.90
ACD/KOC (pH 5.5): 898.75
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.90
ACD/KOC (pH 7.4): 898.75
Polar Surface Area: 9 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 18.6±3.0 dyne/cm
Molar Volume: 179.6±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) =  3.16

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  121.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -68.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  14.9  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  162
       log Kow used: 3.16 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  22258 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.64E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.746E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.16  (KowWin est)
  Log Kaw used:  1.033  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.127
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6789
   Biowin2 (Non-Linear Model)     :   0.7231
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8803  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6396  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2911
   Biowin6 (MITI Non-Linear Model):   0.1803
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3647
 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):  1.85E+003 Pa (13.9 mm Hg)
  Log Koa (Koawin est  ): 2.127
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.62E-009 
       Octanol/air (Koa) model:  3.29E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  5.85E-008 
       Mackay model           :  1.29E-007 
       Octanol/air (Koa) model:  2.63E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  87.6208 E-12 cm3/molecule-sec
      Half-Life =     0.122 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.465 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     7.393750 E-17 cm3/molecule-sec
      Half-Life =     0.155 Days (at 7E11 mol/cm3)
      Half-Life =      3.720 Hrs
   Fraction sorbed to airborne particulates (phi): 9.4E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  508.2
      Log Koc:  2.706 

 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 = 1.730 (BCF = 53.73)
       log Kow used: 3.16 (estimated)

 Volatilization from Water:
    Henry LC:  0.264 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.228  hours
    Half-Life from Model Lake :      114.1  hours   (4.755 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.05  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     3.51  percent
    Total to Air:               95.52  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.7             1.64         1000       
   Water     88              360          1000       
   Soil      7.29            720          1000       
   Sediment  1.99            3.24e+003    0          
     Persistence Time: 69.8 hr

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