ChemSpider 2D Image | (4-CHLOROPHENYL)METHOXYDIMETHYLSILANE | C9H13ClOSi

(4-CHLOROPHENYL)METHOXYDIMETHYLSILANE

  • Molecular FormulaC9H13ClOSi
  • Average mass200.737 Da
  • Monoisotopic mass200.042419 Da
  • ChemSpider ID126937

More details:

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

(4-Chlorophenyl)(methoxy)dimethylsilane [ACD/IUPAC Name]
(4-Chlorophényl)(méthoxy)diméthylsilane [French] [ACD/IUPAC Name]
(4-CHLOROPHENYL)METHOXYDIMETHYLSILANE
(4-Chlorphenyl)(methoxy)dimethylsilan [German] [ACD/IUPAC Name]
62244-44-4 [RN]
Benzene, 1-chloro-4-(methoxydimethylsilyl)- [ACD/Index Name]
(4-Chlorophenyl)dimethylmethoxysilane
(4-chlorophenyl)-methoxy-dimethylsilane
(4-CHLOROPHENYL)-METHOXY-DIMETHYL-SILANE
[62244-44-4] [RN]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      26-37 Alfa Aesar H27810
      36/38 Alfa Aesar H27810
      H315-H319 Alfa Aesar H27810
      P280-P305+P351+P338-P362-P321-P332+P313-P337+P313 Alfa Aesar H27810
      Warning Alfa Aesar H27810
      WARNING: Irritates skin and eyes Alfa Aesar H27810

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

Density: 1.0±0.1 g/cm3
Boiling Point: 217.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.5±3.0 kJ/mol
Flash Point: 72.2±14.7 °C
Index of Refraction: 1.493
Molar Refractivity: 56.0±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.97
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 484.49
ACD/KOC (pH 5.5): 2908.92
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 484.49
ACD/KOC (pH 7.4): 2908.92
Polar Surface Area: 9 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 27.6±5.0 dyne/cm
Molar Volume: 192.5±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) =  3.70

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  222.64  (Adapted Stein & Brown method)
    Melting Pt (deg C):  16.66  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.114  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  29.86
       log Kow used: 3.70 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  894.27 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Silanes (alkoxy)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.39E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.008E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.70  (KowWin est)
  Log Kaw used:  -1.520  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.220
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4696
   Biowin2 (Non-Linear Model)     :   0.1350
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5490  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3928  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1552
   Biowin6 (MITI Non-Linear Model):   0.0497
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1866
 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):  14.3 Pa (0.107 mm Hg)
  Log Koa (Koawin est  ): 5.220
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.1E-007 
       Octanol/air (Koa) model:  4.07E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  7.6E-006 
       Mackay model           :  1.68E-005 
       Octanol/air (Koa) model:  3.26E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.5004 E-12 cm3/molecule-sec
      Half-Life =     4.278 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    51.332 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.22E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3799
      Log Koc:  3.580 

 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 = 2.151 (BCF = 141.6)
       log Kow used: 3.70 (estimated)

 Volatilization from Water:
    Henry LC:  0.000739 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.568  hours
    Half-Life from Model Lake :      146.8  hours   (6.117 days)

 Removal In Wastewater Treatment:
    Total removal:              36.45  percent
    Total biodegradation:        0.19  percent
    Total sludge adsorption:    16.36  percent
    Total to Air:               19.90  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.74            103          1000       
   Water     10.7            900          1000       
   Soil      84.4            1.8e+003     1000       
   Sediment  1.24            8.1e+003     0          
     Persistence Time: 876 hr

Click to predict properties on the Chemicalize site


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