ChemSpider 2D Image | DPMSCl | C13H13ClSi

DPMSCl

  • Molecular FormulaC13H13ClSi
  • Average mass232.781 Da
  • Monoisotopic mass232.047501 Da
  • ChemSpider ID60680

More details:






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

144-79-6 [RN]
205-639-0 [EINECS]
Benzene, 1,1'-(chloromethylsilylene)bis- [ACD/Index Name]
Chlor(methyl)diphenylsilan [German] [ACD/IUPAC Name]
Chloro(methyl)diphenylsilane [ACD/IUPAC Name]
Chloro(méthyl)diphénylsilane [French] [ACD/IUPAC Name]
Chloro-diphenyl-methylsilane
Diphenylmethylchlorosilane
DPMSCl
Methyldiphenylchlorosilane
More...

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

104760_ALDRICH [DBID]
NSC 93961 [DBID]
NSC93961 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      26-36/37/39-45 Alfa Aesar L04162
      34 Alfa Aesar L04162
      8 Alfa Aesar L04162
      CORROSIVE Alfa Aesar L04162
      Danger Alfa Aesar L04162
      DANGER: CORROSIVE, burns skin and eyes Alfa Aesar L04162
      H314 Alfa Aesar L04162
      IRRITANT Matrix Scientific 099045
      P280-P303+P361+P353-P305+P351+P338-P310 Alfa Aesar L04162
  • Gas Chromatography
    • Retention Index (Kovats):

      1553 (estimated with error: 89) NIST Spectra mainlib_26789
      1675.2 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 50 C; CAS no: 144796; Active phase: Polymethylsiloxane, (PMS-20000); Carrier gas: He; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Ainshtein, A.A.; Shulyatieva, T.I., Retention indices of alkyl- and arylchlorosilanes, Zh. Anal. Khim., 27, 1972, 816-821.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      1675.5 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 144796; Active phase: Lucopren G (silicone elastomer); Carrier gas: N2; Substrate: Celite 545 (0.12-0.15 mm); Data type: Normal alkane RI; Authors: Wurst, M.; Churacek, J., Analyse von organosiliciumverbindungen. VI. Retentionsindices der organosiliciumverbindungen bie der gaschromatographie, Collect. Czech. Chem. Commun., 36, 1971, 3497-3506.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: 295.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.3±3.0 kJ/mol
Flash Point: 121.9±8.7 °C
Index of Refraction: 1.564
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6299.67
ACD/KOC (pH 5.5): 18244.99
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6299.67
ACD/KOC (pH 7.4): 18244.99
Polar Surface Area: 0 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 33.9±5.0 dyne/cm
Molar Volume: 214.1±5.0 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) =  5.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  292.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  55.40  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00133  (Modified Grain method)
    BP  (exp database):  295 deg C
    Subcooled liquid VP: 0.00254 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.8846
       log Kow used: 5.29 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.7082 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.43E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.605E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.29  (KowWin est)
  Log Kaw used:  -2.003  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  7.293
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8929
   Biowin2 (Non-Linear Model)     :   0.9645
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7288  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5217  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1022
   Biowin6 (MITI Non-Linear Model):   0.0486
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2386
 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):  0.339 Pa (0.00254 mm Hg)
  Log Koa (Koawin est  ): 7.293
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.86E-006 
       Octanol/air (Koa) model:  4.82E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00032 
       Mackay model           :  0.000708 
       Octanol/air (Koa) model:  0.000385 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   4.0493 E-12 cm3/molecule-sec
      Half-Life =     2.641 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    31.697 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000514 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.866E+004
      Log Koc:  4.457 

 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 = 3.377 (BCF = 2381)
       log Kow used: 5.29 (estimated)

 Volatilization from Water:
    Henry LC:  0.000243 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      5.233  hours
    Half-Life from Model Lake :        185  hours   (7.709 days)

 Removal In Wastewater Treatment:
    Total removal:              85.32  percent
    Total biodegradation:        0.71  percent
    Total sludge adsorption:    83.53  percent
    Total to Air:                1.09  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.48            63.4         1000       
   Water     7.19            900          1000       
   Soil      61              1.8e+003     1000       
   Sediment  30.3            8.1e+003     0          
     Persistence Time: 1.42e+003 hr




                    

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