ChemSpider 2D Image | Chlorotripropylsilane | C9H21ClSi

Chlorotripropylsilane

  • Molecular FormulaC9H21ClSi
  • Average mass192.801 Da
  • Monoisotopic mass192.110107 Da
  • ChemSpider ID63624

More details:






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

213-624-5 [EINECS]
995-25-5 [RN]
Chlor(tripropyl)silan [German] [ACD/IUPAC Name]
Chloro(tripropyl)silane [ACD/IUPAC Name]
Chloro(tripropyl)silane [French] [ACD/IUPAC Name]
Chlorotripropylsilane
MFCD00000508 [MDL number]
Silane, chlorotripropyl- [ACD/Index Name]
Silane,chlorotripropyl-
Tripropylchlorosilane
More...

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

254452_ALDRICH [DBID]
93250_FLUKA [DBID]
NSC 139864 [DBID]
NSC139864 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      26-36/37/39-45 Alfa Aesar B22068
      34 Alfa Aesar B22068
      8 Alfa Aesar B22068
      Danger Alfa Aesar B22068
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar B22068
      H314 Alfa Aesar B22068
      P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501a Alfa Aesar B22068
  • Gas Chromatography
    • Retention Index (Kovats):

      1002 (estimated with error: 89) NIST Spectra mainlib_73183, replib_162864
      980 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1 m; Column type: Packed; Start T: 70 C; CAS no: 995255; Active phase: SE-30; Carrier gas: Ar; Data type: Kovats RI; Authors: Kirichenko, E.A.; Markov, B.A.; Kochetov, V.A.; Kuznetsova, T.I., Chromatographic retention indices of alkylchlorosilanes, Zh. Anal. Khim., 30(6), 1975, 1038-1040, In original 1232-1235.) NIST Spectra nist ri
      984 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1 m; Column type: Packed; Start T: 140 C; CAS no: 995255; Active phase: SE-30; Carrier gas: Ar; Data type: Kovats RI; Authors: Kirichenko, E.A.; Markov, B.A.; Kochetov, V.A.; Kuznetsova, T.I., Chromatographic retention indices of alkylchlorosilanes, Zh. Anal. Khim., 30(6), 1975, 1038-1040, In original 1232-1235.) NIST Spectra nist ri

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

Density: 0.9±0.1 g/cm3
Boiling Point: 207.2±9.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.5±3.0 kJ/mol
Flash Point: 70.0±0.0 °C
Index of Refraction: 1.425
Molar Refractivity: 57.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3527.17
ACD/KOC (pH 5.5): 12045.99
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3527.17
ACD/KOC (pH 7.4): 12045.99
Polar Surface Area: 0 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 22.4±3.0 dyne/cm
Molar Volume: 224.2±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) =  5.43

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  174.72  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -27.91  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.25  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.101
       log Kow used: 5.43 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.047447 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]:  2.880E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.43  (KowWin est)
  Log Kaw used:  1.156  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.274
      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)    :   0.4363
   Biowin6 (MITI Non-Linear Model):   0.4001
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7533
 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):  151 Pa (1.13 mm Hg)
  Log Koa (Koawin est  ): 4.274
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.99E-008 
       Octanol/air (Koa) model:  4.61E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.19E-007 
       Mackay model           :  1.59E-006 
       Octanol/air (Koa) model:  3.69E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.7394 E-12 cm3/molecule-sec
      Half-Life =     1.382 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    16.584 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.16E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2393
      Log Koc:  3.379 

 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 = 3.480 (BCF = 3017)
       log Kow used: 5.43 (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:              99.41  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    56.26  percent
    Total to Air:               42.96  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.04            33.2         1000       
   Water     12.7            360          1000       
   Soil      48.1            720          1000       
   Sediment  35.1            3.24e+003    0          
     Persistence Time: 462 hr




                    

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