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ChemSpider 2D Image | Chlorotriisopropylsilane | C9H21ClSi

Chlorotriisopropylsilane

  • Molecular FormulaC9H21ClSi
  • Average mass192.801 Da
  • Monoisotopic mass192.110107 Da
  • ChemSpider ID122926

More details:

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

13154-24-0 [RN]
1Y1&-SI-GY1&1&Y1&1 [WLN]
603-492-0 [EINECS]
Chlor(triisopropyl)silan [German] [ACD/IUPAC Name]
Chloro(triisopropyl)silane [ACD/IUPAC Name]
Chloro(triisopropyl)silane [French] [ACD/IUPAC Name]
Chlorotriisopropylsilane [ACD/IUPAC Name]
Chlorotris(1-methylethyl)silane
Silane, chlorotris(1-methylethyl)- [ACD/Index Name]
Triisopropylsilyl chloride
More...

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

1737446 [Beilstein] [DBID]
241725_ALDRICH [DBID]
515175_ALDRICH [DBID]
90174_FLUKA [DBID]
92090_FLUKA [DBID]
CCRIS 4693 [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: 199.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.8±3.0 kJ/mol
Flash Point: 62.8±0.0 °C
Index of Refraction: 1.421
Molar Refractivity: 57.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.81
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2478.55
ACD/KOC (pH 5.5): 9357.56
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2478.55
ACD/KOC (pH 7.4): 9357.56
Polar Surface Area: 0 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 20.6±3.0 dyne/cm
Molar Volume: 225.3±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) =  5.21

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  135.22  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -61.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.9  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.699
       log Kow used: 5.21 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.22333 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.50E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.180E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.21  (KowWin est)
  Log Kaw used:  1.156  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.054
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6558
   Biowin2 (Non-Linear Model)     :   0.5673
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7731  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5696  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0110
   Biowin6 (MITI Non-Linear Model):   0.0383
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1389
 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):  972 Pa (7.29 mm Hg)
  Log Koa (Koawin est  ): 4.054
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.09E-009 
       Octanol/air (Koa) model:  2.78E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.11E-007 
       Mackay model           :  2.47E-007 
       Octanol/air (Koa) model:  2.22E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.4057 E-12 cm3/molecule-sec
      Half-Life =     1.444 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.332 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.79E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1555
      Log Koc:  3.192 

 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 = 3.310 (BCF = 2041)
       log Kow used: 5.21 (estimated)

 Volatilization from Water:
    Henry LC:  0.35 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.419  hours
    Half-Life from Model Lake :      131.9  hours   (5.496 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.47  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    52.82  percent
    Total to Air:               46.48  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       5.71            34.7         1000       
   Water     16.3            360          1000       
   Soil      49.1            720          1000       
   Sediment  28.9            3.24e+003    0          
     Persistence Time: 366 hr

Click to predict properties on the Chemicalize site


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