ChemSpider 2D Image | Triisopropylsilane | C9H22Si

Triisopropylsilane

  • Molecular FormulaC9H22Si
  • Average mass158.357 Da
  • Monoisotopic mass158.149078 Da
  • ChemSpider ID122362

More details:






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

Silane, tris(1-methylethyl)- [ACD/Index Name]
Triisopropylsilan [German] [ACD/IUPAC Name]
Triisopropylsilane [ACD/IUPAC Name]
Triisopropylsilane [French] [ACD/IUPAC Name]
(4α,5α,17β)-3,17-Dihydroxy-4,5-epoxyandrost-2-ene-2-carbonitrile [ACD/IUPAC Name]
[13647-35-3]
[6485-79-6]
13647-35-3 [RN]
19186-97-1 [RN]
237-133-0 [EINECS]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 177.8±0.0 °C at 760 mmHg
Vapour Pressure: 1.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 39.7±3.0 kJ/mol
Flash Point: 37.2±0.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 951.80
ACD/KOC (pH 5.5): 4716.75
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 951.80
ACD/KOC (pH 7.4): 4716.75
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) =  9.28

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -35.45  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -45.92  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.69E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0008271
       log Kow used: 9.28 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.9731e-007 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.915E+005 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.9832
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   0.9401  (recalcitrant)
   Biowin4 (Primary Survey Model) :   2.2383  (months      )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8496
   Biowin6 (MITI Non-Linear Model):   0.8242
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -2.1720
 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):  6.64E+005 Pa (4.98E+003 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.52E-012 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.63E-010 
       Mackay model           :  3.61E-010 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.0000 E-12 cm3/molecule-sec
      Half-Life =   -------
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.62E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  993.5
      Log Koc:  2.997 

 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 = 1.686 (BCF = 48.56)
       log Kow used: 9.28 (estimated)

 Volatilization from Water:
    Henry LC:  1.91E+005 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.284  hours
    Half-Life from Model Lake :      119.5  hours   (4.98 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:             100.00  percent
    Total biodegradation:        0.18  percent
    Total sludge adsorption:    59.90  percent
    Total to Air:               39.93  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.02            1e+005       1000       
   Water     1.22            4.32e+003    1000       
   Soil      0.0268          8.64e+003    1000       
   Sediment  97.7            3.89e+004    0          
     Persistence Time: 6.51e+003 hr




                    

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