ChemSpider 2D Image | DMDMS | C4H12O2Si

DMDMS

  • Molecular FormulaC4H12O2Si
  • Average mass120.222 Da
  • Monoisotopic mass120.060654 Da
  • ChemSpider ID59573

More details:

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

1112-39-6 [RN]
214-189-4 [EINECS]
Dimethoxy(dimethyl)silan [German] [ACD/IUPAC Name]
Dimethoxy(dimethyl)silane [ACD/IUPAC Name]
Diméthoxy(diméthyl)silane [French] [ACD/IUPAC Name]
Dimethoxydimethylsilane
Dimethyldimethoxysilane
DMDMS
MFCD00025691 [MDL number]
Silane, dimethoxydimethyl- [ACD/Index Name]
More...

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

A3QDB1RS1C [DBID]
104906_ALDRICH [DBID]
40160_FLUKA [DBID]
556688_ALDRICH [DBID]
AY 43-004 [DBID]
CD5605 [DBID]
KBM 22 [DBID]
NSC 93882 [DBID]
NSC93882 [DBID]
TSL 8112 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      11-36/37/38 Alfa Aesar A12025
      3 Alfa Aesar A12025
      9-16-23-26-33-37 Alfa Aesar A12025
      Danger Alfa Aesar A12025
      DANGER: FLAMMABLE, CORROSIVE, burns skin and eyes Alfa Aesar A12025
      DANGER: FLAMMABLE, irritates skin, eyes, lungs Alfa Aesar A12025
      H225-H315-H319-H335 Alfa Aesar A12025
      P210-P261-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar A12025
  • Gas Chromatography

    • Retention Index (Kovats):

      481 (estimated with error: 89) NIST Spectra mainlib_2171, replib_155776, replib_233850

    • Retention Index (Normal Alkane):

      648 (Program type: Ramp; Column cl... (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 1112396; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri
      649 (Program type: Ramp; Column cl... (show more) ass: Semi-standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 50 C; End T: 180 C; Start time: 3 min; CAS no: 1112396; Active phase: HP-5; Phase thickness: 0.33 um; Data type: Normal alkane RI; Authors: Jung, A.; Wichmann, K.-H.; Kolb, M., VOC emission of polymeric packaging materials, LaborPraxis, 23(9), 1999, 20-22.) NIST Spectra nist ri
      641.1 (Program type: Isothermal; Col... (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 1112396; 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: 0.8±0.1 g/cm3
Boiling Point: 82.0±0.0 °C at 760 mmHg
Vapour Pressure: 89.0±0.1 mmHg at 25°C
Enthalpy of Vaporization: 30.9±3.0 kJ/mol
Flash Point: -34.8±6.0 °C
Index of Refraction: 1.376
Molar Refractivity: 32.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.45
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.34
ACD/KOC (pH 5.5): 42.94
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 42.94
Polar Surface Area: 18 Å2
Polarizability: 13.0±0.5 10-24cm3
Surface Tension: 16.9±3.0 dyne/cm
Molar Volume: 143.0±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) =  0.58

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  72.90  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -78.54  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  80.2  (Mean VP of Antoine & Grain methods)
    BP  (exp database):  82 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.171e+004
       log Kow used: 0.58 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.18E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.001E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.58  (KowWin est)
  Log Kaw used:  -1.317  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  1.897
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6903
   Biowin2 (Non-Linear Model)     :   0.7861
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9335  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6743  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3561
   Biowin6 (MITI Non-Linear Model):   0.2958
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5178
 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):  1.03E+004 Pa (77.5 mm Hg)
  Log Koa (Koawin est  ): 1.897
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.9E-010 
       Octanol/air (Koa) model:  1.94E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.05E-008 
       Mackay model           :  2.32E-008 
       Octanol/air (Koa) model:  1.55E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.9584 E-12 cm3/molecule-sec
      Half-Life =     5.462 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    65.539 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.69E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  192
      Log Koc:  2.283 

 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 = 0.500 (BCF = 3.162)
       log Kow used: 0.58 (estimated)

 Volatilization from Water:
    Henry LC:  0.00118 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.663  hours
    Half-Life from Model Lake :      110.1  hours   (4.587 days)

 Removal In Wastewater Treatment:
    Total removal:              33.99  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     1.27  percent
    Total to Air:               32.65  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       35.4            131          1000       
   Water     49.5            360          1000       
   Soil      14.9            720          1000       
   Sediment  0.0939          3.24e+003    0          
     Persistence Time: 143 hr

Click to predict properties on the Chemicalize site


Advertisement