ChemSpider 2D Image | 2,4,6-Trisilaheptane, 2,2,4,4,6,6-hexamethyl- | C10H28Si3

2,4,6-Trisilaheptane, 2,2,4,4,6,6-hexamethyl-

  • Molecular FormulaC10H28Si3
  • Average mass232.586 Da
  • Monoisotopic mass232.149872 Da
  • ChemSpider ID480911

More details:






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

[(Dimethylsilandiyl)dimethylen]bis(trimethylsilan) [German] [ACD/IUPAC Name]
[(Dimethylsilanediyl)bis(methylene)]bis(trimethylsilane) [ACD/IUPAC Name]
[(Diméthylsilanediyl)diméthylène]bis(triméthylsilane) [French] [ACD/IUPAC Name]
2,4,6-Trisilaheptane, 2,2,4,4,6,6-hexamethyl-
Silane, dimethylbis[(trimethylsilyl)methyl]- [ACD/Index Name]
2,2,4,4,6,6-Hexamethyl-2,4,6-trisilaheptane
5695-47-6 [RN]
Dimethyl(bis[(trimethylsilyl)methyl])silane
Dimethylbis((trimethylsilyl)methyl)silane

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

Density: 0.8±0.1 g/cm3
Boiling Point: 213.0±15.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.1±3.0 kJ/mol
Flash Point: 54.6±13.0 °C
Index of Refraction: 1.410
Molar Refractivity: 74.5±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 7.03
ACD/BCF (pH 5.5): 128587.16
ACD/KOC (pH 5.5): 158030.69
ACD/LogD (pH 7.4): 7.03
ACD/BCF (pH 7.4): 128587.16
ACD/KOC (pH 7.4): 158030.69
Polar Surface Area: 0 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 16.6±3.0 dyne/cm
Molar Volume: 300.8±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) =  6.49

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  140.38  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -64.63  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  6.25  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.08437
       log Kow used: 6.49 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  6.5555e-006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.99E+000  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.267E+001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.49  (KowWin est)
  Log Kaw used:  1.910  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.580
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6368
   Biowin2 (Non-Linear Model)     :   0.4270
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6852  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5122  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1223
   Biowin6 (MITI Non-Linear Model):   0.0401
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.2515
 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):  765 Pa (5.74 mm Hg)
  Log Koa (Koawin est  ): 4.580
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.92E-009 
       Octanol/air (Koa) model:  9.33E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.42E-007 
       Mackay model           :  3.14E-007 
       Octanol/air (Koa) model:  7.47E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.4571 E-12 cm3/molecule-sec
      Half-Life =     3.094 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    37.127 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.28E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3179
      Log Koc:  3.502 

 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 = 4.298 (BCF = 1.986e+004)
       log Kow used: 6.49 (estimated)

 Volatilization from Water:
    Henry LC:  1.99 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.557  hours
    Half-Life from Model Lake :      144.9  hours   (6.036 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.48  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    62.01  percent
    Total to Air:               37.25  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.23            74.3         1000       
   Water     2.93            900          1000       
   Soil      23.4            1.8e+003     1000       
   Sediment  72.5            8.1e+003     0          
     Persistence Time: 2.19e+003 hr




                    

Click to predict properties on the Chemicalize site






Advertisement