ChemSpider 2D Image | CHLORO-TERT-BUTYLDIMETHYLSILANE | C6H15ClSi

CHLORO-TERT-BUTYLDIMETHYLSILANE

  • Molecular FormulaC6H15ClSi
  • Average mass150.722 Da
  • Monoisotopic mass150.063156 Da
  • ChemSpider ID11318351

More details:






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

(1-Chlor-2-methyl-2-propanyl)(dimethyl)silan [German] [ACD/IUPAC Name]
(1-Chloro-2-methyl-2-propanyl)(dimethyl)silane [ACD/IUPAC Name]
(1-Chloro-2-méthyl-2-propanyl)(diméthyl)silane [French] [ACD/IUPAC Name]
(1-Chloro-2-methylpropan-2-yl)(dimethyl)silane
CHLORO-TERT-BUTYLDIMETHYLSILANE
Silane, (2-chloro-1,1-dimethylethyl)dimethyl- [ACD/Index Name]
Silane, chloro-tert-butyldimethyl-
1314981-24-2 [RN]
18162-48-6 [RN]
242-042-4 [EINECS]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 130.0±23.0 °C at 760 mmHg
Vapour Pressure: 12.1±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.3±3.0 kJ/mol
Flash Point: 19.7±9.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 461.34
ACD/KOC (pH 5.5): 2808.73
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 461.34
ACD/KOC (pH 7.4): 2808.73
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.79

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  136.11  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -71.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.59  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  43.89
       log Kow used: 3.79 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.2685 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.32E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.430E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.79  (KowWin est)
  Log Kaw used:  0.732  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.058
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3805
   Biowin2 (Non-Linear Model)     :   0.0625
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4808  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3762  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3835
   Biowin6 (MITI Non-Linear Model):   0.1739
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1949
 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):  933 Pa (7 mm Hg)
  Log Koa (Koawin est  ): 3.058
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.21E-009 
       Octanol/air (Koa) model:  2.81E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.16E-007 
       Mackay model           :  2.57E-007 
       Octanol/air (Koa) model:  2.24E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.0703 E-12 cm3/molecule-sec
      Half-Life =     9.993 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =   119.920 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.87E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  306.7
      Log Koc:  2.487 

 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 = 2.216 (BCF = 164.6)
       log Kow used: 3.79 (estimated)

 Volatilization from Water:
    Henry LC:  0.132 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:              98.25  percent
    Total biodegradation:        0.05  percent
    Total sludge adsorption:    12.14  percent
    Total to Air:               86.06  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       34.2            240          1000       
   Water     40.7            900          1000       
   Soil      19.2            1.8e+003     1000       
   Sediment  5.86            8.1e+003     0          
     Persistence Time: 192 hr




                    

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