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ChemSpider 2D Image | Tert-Butyl dimethylchlorosilane | C6H15ClSi

Tert-Butyl dimethylchlorosilane

  • Molecular FormulaC6H15ClSi
  • Average mass150.722 Da
  • Monoisotopic mass150.063156 Da
  • ChemSpider ID26908

More details:

Featured data source
The Merck Index Online

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

Tert-Butyl dimethylchlorosilane
18162-48-6 [RN]
242-042-4 [EINECS]
Butyldimethylsilyl chloride
Chlor(dimethyl)(2-methyl-2-propanyl)silan [German] [ACD/IUPAC Name]
Chloro(dimethyl)(2-methyl-2-propanyl)silane [ACD/IUPAC Name]
Chloro(diméthyl)(2-méthyl-2-propanyl)silane [French] [ACD/IUPAC Name]
MFCD00000501 [MDL number]
Silane, chloro(1,1-dimethylethyl)dimethyl- [ACD/Index Name]
Silane, chloro-tert-butyldimethyl-
More...

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

190500_ALDRICH [DBID]
19905_FLUKA [DBID]
19906_FLUKA [DBID]
372951_ALDRICH [DBID]
384429_ALDRICH [DBID]
473464_ALDRICH [DBID]
BRN 0505999 [DBID]
CCRIS 4693 [DBID]
UPCMLD00WV-84 [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: 125.0±0.0 °C at 760 mmHg
Vapour Pressure: 15.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.8±3.0 kJ/mol
Flash Point: 22.8±0.0 °C
Index of Refraction: 1.411
Molar Refractivity: 43.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 787.65
ACD/KOC (pH 5.5): 4119.04
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 787.65
ACD/KOC (pH 7.4): 4119.04
Polar Surface Area: 0 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 18.7±3.0 dyne/cm
Molar Volume: 174.7±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) =  3.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  83.40  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -70.27  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  75.7  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  39.3
       log Kow used: 3.84 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.7282 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.50E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.820E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.84  (KowWin est)
  Log Kaw used:  0.788  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.052
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4919
   Biowin2 (Non-Linear Model)     :   0.2984
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6540  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4768  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3334
   Biowin6 (MITI Non-Linear Model):   0.2092
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1040
 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):  9.73E+003 Pa (73 mm Hg)
  Log Koa (Koawin est  ): 3.052
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.08E-010 
       Octanol/air (Koa) model:  2.77E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.11E-008 
       Mackay model           :  2.47E-008 
       Octanol/air (Koa) model:  2.21E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.8010 E-12 cm3/molecule-sec
      Half-Life =    13.353 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.79E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  224.7
      Log Koc:  2.352 

 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 = 2.260 (BCF = 181.8)
       log Kow used: 3.84 (estimated)

 Volatilization from Water:
    Henry LC:  0.15 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.258  hours
    Half-Life from Model Lake :      116.7  hours   (4.861 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.47  percent
    Total biodegradation:        0.06  percent
    Total sludge adsorption:    13.25  percent
    Total to Air:               85.16  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       35.4            320          1000       
   Water     39.7            900          1000       
   Soil      18.5            1.8e+003     1000       
   Sediment  6.43            8.1e+003     0          
     Persistence Time: 197 hr

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