ChemSpider 2D Image | Dimethylsilanediol | C2H8O2Si

Dimethylsilanediol

  • Molecular FormulaC2H8O2Si
  • Average mass92.169 Da
  • Monoisotopic mass92.029358 Da
  • ChemSpider ID13396

More details:

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

1066-42-8 [RN]
213-915-7 [EINECS]
Dihydroxydimethylsilane
Dimethylsilandiol [German] [ACD/IUPAC Name]
Dimethylsilanediol [ACD/IUPAC Name]
Diméthylsilanediol [French] [ACD/IUPAC Name]
Silanediol, 1,1-dimethyl- [ACD/Index Name]
(CH3)2Si(OH)2
1,1-Dimethylsilanediol
1731569 [Beilstein]
More...

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

432970_ALDRICH [DBID]
432989_ALDRICH [DBID]
432997_ALDRICH [DBID]
481939_ALDRICH [DBID]
481955_ALDRICH [DBID]
481963_ALDRICH [DBID]
481971_ALDRICH [DBID]
482005_ALDRICH [DBID]
482161_ALDRICH [DBID]
c0356 [DBID]
More...

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

Density: 1.0±0.1 g/cm3
Boiling Point: 122.2±23.0 °C at 760 mmHg
Vapour Pressure: 6.7±0.5 mmHg at 25°C
Enthalpy of Vaporization: 42.0±6.0 kJ/mol
Flash Point: 27.7±22.6 °C
Index of Refraction: 1.415
Molar Refractivity: 23.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.91
ACD/LogD (pH 5.5): 0.46
ACD/BCF (pH 5.5): 1.32
ACD/KOC (pH 5.5): 42.52
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.32
ACD/KOC (pH 7.4): 42.52
Polar Surface Area: 40 Å2
Polarizability: 9.2±0.5 10-24cm3
Surface Tension: 24.0±3.0 dyne/cm
Molar Volume: 92.3±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) =  -0.41

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  184.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -18.70  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.136  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.737e+005
       log Kow used: -0.41 (estimated)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1e+006 mg/L (25 deg C)
        Exper. Ref:  BEILSTEIN

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L
    Wat Sol (Exper. database match) =  1000000.00
       Exper. Ref:  BEILSTEIN

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.16E-008  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.026E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -0.41  (KowWin est)
  Log Kaw used:  -6.324  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.914
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7037
   Biowin2 (Non-Linear Model)     :   0.8455
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9955  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7148  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.4388
   Biowin6 (MITI Non-Linear Model):   0.4759
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6769
 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):  16 Pa (0.12 mm Hg)
  Log Koa (Koawin est  ): 5.914
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.88E-007 
       Octanol/air (Koa) model:  2.01E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.77E-006 
       Mackay model           :  1.5E-005 
       Octanol/air (Koa) model:  1.61E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   7.1992 E-12 cm3/molecule-sec
      Half-Life =     1.486 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    17.829 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.09E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  48.64
      Log Koc:  1.687 

 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: -0.41 (estimated)

 Volatilization from Water:
    Henry LC:  1.16E-008 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.846E+004  hours   (2019 days)
    Half-Life from Model Lake : 5.287E+005  hours   (2.203E+004 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.76  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.255           35.7         1000       
   Water     39.4            360          1000       
   Soil      60.2            720          1000       
   Sediment  0.0724          3.24e+003    0          
     Persistence Time: 553 hr

Click to predict properties on the Chemicalize site


Advertisement