ChemSpider 2D Image | dichlorodiethoxysilane | C4H10Cl2O2Si

dichlorodiethoxysilane

  • Molecular FormulaC4H10Cl2O2Si
  • Average mass189.113 Da
  • Monoisotopic mass187.982712 Da
  • ChemSpider ID121944

More details:






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

4667-38-3 [RN]
Dichlor(diethoxy)silan [German] [ACD/IUPAC Name]
Dichloro(diethoxy)silane [ACD/IUPAC Name]
Dichloro(diéthoxy)silane [French] [ACD/IUPAC Name]
dichlorodiethoxysilane
Diethoxydichlorosilane
Silane, dichlorodiethoxy- [ACD/Index Name]
80%
diethoxy dichlorosilane
DIETHOXYDICHLOROSILANE, tech-90
More...

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

  • Gas Chromatography
    • Retention Index (Kovats):

      819 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1 m; Column type: Packed; Start T: 150 C; CAS no: 4667383; Active phase: SE-30; Carrier gas: Ar; Data type: Kovats RI; Authors: Kreshkov, A.P.; Kirichenko, E.A.; Markov, B.A., Retention indices of alkoxychlorosilanes, Zh. Anal. Khim., 30(2), 1975, 286-289, In original 345-348.) NIST Spectra nist ri
      830 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column length: 1 m; Column type: Packed; Start T: 100 C; CAS no: 4667383; Active phase: SE-30; Carrier gas: Ar; Data type: Kovats RI; Authors: Kreshkov, A.P.; Kirichenko, E.A.; Markov, B.A., Retention indices of alkoxychlorosilanes, Zh. Anal. Khim., 30(2), 1975, 286-289, In original 345-348.) NIST Spectra nist ri
      781 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 1 m; Column type: Packed; Start T: 150 C; CAS no: 4667383; Active phase: Apiezon L; Carrier gas: Ar; Data type: Kovats RI; Authors: Kreshkov, A.P.; Kirichenko, E.A.; Markov, B.A., Retention indices of alkoxychlorosilanes, Zh. Anal. Khim., 30(2), 1975, 286-289, In original 345-348.) NIST Spectra nist ri
      783 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 1 m; Column type: Packed; Start T: 100 C; CAS no: 4667383; Active phase: Apiezon L; Carrier gas: Ar; Data type: Kovats RI; Authors: Kreshkov, A.P.; Kirichenko, E.A.; Markov, B.A., Retention indices of alkoxychlorosilanes, Zh. Anal. Khim., 30(2), 1975, 286-289, In original 345-348.) NIST Spectra nist ri
    • Retention Index (Normal Alkane):

      830 (Program type: Isothermal; Col... (show more) umn class: Standard non-polar; Column type: Packed; CAS no: 4667383; Active phase: SE-30; Data type: Normal alkane RI; Authors: Yu, X.; Yang, D., Predicting the Kovats retention index for alkoxyl silicon chlorides and sulfides on stationary phases of different polarity, Fenxi Huaxue, 33(1), 2005, 101-105.) NIST Spectra nist ri

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

Density: 1.1±0.1 g/cm3
Boiling Point: 134.0±9.0 °C at 760 mmHg
Vapour Pressure: 10.1±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.6±3.0 kJ/mol
Flash Point: 31.0±10.8 °C
Index of Refraction: 1.426
Molar Refractivity: 42.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 219.70
ACD/KOC (pH 5.5): 1651.53
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 219.70
ACD/KOC (pH 7.4): 1651.53
Polar Surface Area: 18 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 23.9±3.0 dyne/cm
Molar Volume: 165.8±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) =  1.09

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  143.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -27.90  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.32  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5788
       log Kow used: 1.09 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.0835e+005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.74E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.287E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.09  (KowWin est)
  Log Kaw used:  -2.148  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.238
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6575
   Biowin2 (Non-Linear Model)     :   0.5801
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7813  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5749  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2492
   Biowin6 (MITI Non-Linear Model):   0.1155
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7289
 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):  651 Pa (4.88 mm Hg)
  Log Koa (Koawin est  ): 3.238
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.61E-009 
       Octanol/air (Koa) model:  4.25E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.67E-007 
       Mackay model           :  3.69E-007 
       Octanol/air (Koa) model:  3.4E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  12.3468 E-12 cm3/molecule-sec
      Half-Life =     0.866 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    10.396 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.68E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  653
      Log Koc:  2.815 

 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 = 0.142 (BCF = 1.386)
       log Kow used: 1.09 (estimated)

 Volatilization from Water:
    Henry LC:  0.000174 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      6.031  hours
    Half-Life from Model Lake :      181.1  hours   (7.546 days)

 Removal In Wastewater Treatment:
    Total removal:               9.62  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.68  percent
    Total to Air:                7.85  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.6             20.8         1000       
   Water     46.7            360          1000       
   Soil      46.6            720          1000       
   Sediment  0.0955          3.24e+003    0          
     Persistence Time: 214 hr




                    

Click to predict properties on the Chemicalize site






Advertisement