ChemSpider 2D Image | tert-Butyl(dimethyl)[(1-methylene-2-propenyl)oxy]silane | C10H20OSi

tert-Butyl(dimethyl)[(1-methylene-2-propenyl)oxy]silane

  • Molecular FormulaC10H20OSi
  • Average mass184.351 Da
  • Monoisotopic mass184.128342 Da
  • ChemSpider ID505331

More details:

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

(1,3-Butadien-2-yloxy)(dimethyl)(2-methyl-2-propanyl)silan [German] [ACD/IUPAC Name]
(1,3-Butadien-2-yloxy)(dimethyl)(2-methyl-2-propanyl)silane [ACD/IUPAC Name]
(1,3-Butadién-2-yloxy)(diméthyl)(2-méthyl-2-propanyl)silane [French] [ACD/IUPAC Name]
Silane, (1,1-dimethylethyl)dimethyl[(1-methylene-2-propen-1-yl)oxy]- [ACD/Index Name]
Silane, (1,1-dimethylethyl)dimethyl[(1-methylene-2-propenyl)oxy]-
tert-Butyl(dimethyl)[(1-methylene-2-propenyl)oxy]silane
80738-05-2 [RN]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 170.0±8.0 °C at 760 mmHg
Vapour Pressure: 2.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.0±3.0 kJ/mol
Flash Point: 46.2±8.3 °C
Index of Refraction: 1.428
Molar Refractivity: 58.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 288.71
ACD/KOC (pH 5.5): 2008.17
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 288.71
ACD/KOC (pH 7.4): 2008.17
Polar Surface Area: 9 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 20.1±3.0 dyne/cm
Molar Volume: 225.7±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) =  4.46

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  155.82  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -39.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.06  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.134
       log Kow used: 4.46 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  829.47 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.18E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  9.126E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.46  (KowWin est)
  Log Kaw used:  1.114  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.346
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4758
   Biowin2 (Non-Linear Model)     :   0.2088
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5796  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4283  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2643
   Biowin6 (MITI Non-Linear Model):   0.1036
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2636
 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):  372 Pa (2.79 mm Hg)
  Log Koa (Koawin est  ): 3.346
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.06E-009 
       Octanol/air (Koa) model:  5.45E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.91E-007 
       Mackay model           :  6.45E-007 
       Octanol/air (Koa) model:  4.36E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 105.8010 E-12 cm3/molecule-sec
      Half-Life =     0.101 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.213 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.810000 E-17 cm3/molecule-sec
      Half-Life =     1.415 Days (at 7E11 mol/cm3)
      Half-Life =     33.956 Hrs
   Fraction sorbed to airborne particulates (phi): 4.68E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2459
      Log Koc:  3.391 

 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 = 2.735 (BCF = 542.7)
       log Kow used: 4.46 (estimated)

 Volatilization from Water:
    Henry LC:  0.318 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.388  hours
    Half-Life from Model Lake :        129  hours   (5.375 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.39  percent
    Total biodegradation:        0.11  percent
    Total sludge adsorption:    32.30  percent
    Total to Air:               66.98  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.31            2.26         1000       
   Water     38.6            900          1000       
   Soil      33.7            1.8e+003     1000       
   Sediment  26.4            8.1e+003     0          
     Persistence Time: 201 hr

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