ChemSpider 2D Image | Dichlorophenylsilane | C6H6Cl2Si

Dichlorophenylsilane

  • Molecular FormulaC6H6Cl2Si
  • Average mass177.103 Da
  • Monoisotopic mass175.961578 Da
  • ChemSpider ID66815

More details:






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

(Dichlorosilyl)benzene
1631-84-1 [RN]
216-635-3 [EINECS]
Benzene, (dichlorosilyl)- [ACD/Index Name]
Dichlor(phenyl)silan [German] [ACD/IUPAC Name]
Dichloro(phenyl)silane [ACD/IUPAC Name]
Dichloro(phényl)silane [French] [ACD/IUPAC Name]
Dichlorophenylsilane
MFCD00039296 [MDL number]
Phenyldichloro silane
More...

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

597864_ALDRICH [DBID]
NSC139846 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      10/1/1934 12:00:00 AM Alfa Aesar L04371
      10-34 Alfa Aesar L04371
      23-26-36/37/39-45 Alfa Aesar L04371
      8 Alfa Aesar L04371
      CORROSIVE Alfa Aesar L04371
      Danger Alfa Aesar L04371
      DANGER: CORROSIVE, FLAMMABLE, burns skin and eyes Alfa Aesar L04371
      H314-H226 Alfa Aesar L04371
      Oct-34 Alfa Aesar L04371
      P210-P260-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar L04371
  • Gas Chromatography
    • Retention Index (Kovats):

      1100 (estimated with error: 89) NIST Spectra mainlib_342369
      1052.2 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 2 m; Column type: Packed; Start T: 50 C; CAS no: 1631841; 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):

      1098.8 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 1631841; 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, version: 14.00

Density:
Boiling Point: 181.0±9.0 °C at 760 mmHg
Vapour Pressure: 1.2±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.0±3.0 kJ/mol
Flash Point: 44.4±5.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1703.26
ACD/KOC (pH 5.5): 7153.98
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1703.26
ACD/KOC (pH 7.4): 7153.98
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) =  3.29

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  181.09  (Adapted Stein & Brown method)
    Melting Pt (deg C):  28.85  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.769  (Modified Grain method)
    Subcooled liquid VP: 0.832 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):  87.57
       log Kow used: 3.29 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  48.231 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]:  2.046E-003 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)         :   0.6632
   Biowin2 (Non-Linear Model)     :   0.6210
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8078  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5922  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1853
   Biowin6 (MITI Non-Linear Model):   0.0700
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8361
 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):  111 Pa (0.832 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.7E-008 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  9.77E-007 
       Mackay model           :  2.16E-006 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.9498 E-12 cm3/molecule-sec
      Half-Life =     5.486 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    65.827 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.57E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  817.2
      Log Koc:  2.912 

 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 = 1.836 (BCF = 68.54)
       log Kow used: 3.29 (estimated)

 Volatilization from Water:
    Henry LC:  0.00205 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.739  hours
    Half-Life from Model Lake :      130.6  hours   (5.44 days)

 Removal In Wastewater Treatment:
    Total removal:              48.93  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     6.96  percent
    Total to Air:               41.87  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       11.1            132          1000       
   Water     19.1            360          1000       
   Soil      69.3            720          1000       
   Sediment  0.557           3.24e+003    0          
     Persistence Time: 343 hr




                    

Click to predict properties on the Chemicalize site






Advertisement