ChemSpider 2D Image | 1,1,2,2,3,3,4,4,5,5,6,6-Dodecamethyl-1,6-hexasilanediyl | C12H36Si6

1,1,2,2,3,3,4,4,5,5,6,6-Dodecamethyl-1,6-hexasilanediyl

  • Molecular FormulaC12H36Si6
  • Average mass348.927 Da
  • Monoisotopic mass348.143250 Da
  • ChemSpider ID9084535

More details:

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

1,1,2,2,3,3,4,4,5,5,6,6-Dodecamethyl-1,6-hexasilandiyl [German] [ACD/IUPAC Name]
1,1,2,2,3,3,4,4,5,5,6,6-Dodecamethyl-1,6-hexasilanediyl [ACD/IUPAC Name]
1,1,2,2,3,3,4,4,5,5,6,6-Dodécaméthyl-1,6-hexasilanediyl [French] [ACD/IUPAC Name]
1,6-Hexasilanediyl, 1,1,2,2,3,3,4,4,5,5,6,6-dodecamethyl- [ACD/Index Name]

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

No predicted properties have been calculated for this compound.

Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  8.60

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  203.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -77.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.3  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.0002772
       log Kow used: 8.60 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.5095e-007 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]:  4.998E+002 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)         :   0.5805
   Biowin2 (Non-Linear Model)     :   0.1219
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4236  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3414  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3270
   Biowin6 (MITI Non-Linear Model):   0.0006
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1188
 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):  36.7 Pa (0.275 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.18E-008 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.96E-006 
       Mackay model           :  6.55E-006 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.7952 E-12 cm3/molecule-sec
      Half-Life =     5.958 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    71.497 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.75E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4.831E+004
      Log Koc:  4.684 

 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 = 2.619 (BCF = 416.3)
       log Kow used: 8.60 (estimated)

 Volatilization from Water:
    Henry LC:  500 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.912  hours
    Half-Life from Model Lake :      177.9  hours   (7.414 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.75  percent
    Total biodegradation:        0.20  percent
    Total sludge adsorption:    61.26  percent
    Total to Air:               38.29  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.35            143          1000       
   Water     2.24            900          1000       
   Soil      14.1            1.8e+003     1000       
   Sediment  82.4            8.1e+003     0          
     Persistence Time: 2.63e+003 hr

Click to predict properties on the Chemicalize site


Advertisement