ChemSpider 2D Image | 2,4-Disilapentane, 2,2,4-trimethyl- | C6H18Si2

2,4-Disilapentane, 2,2,4-trimethyl-

  • Molecular FormulaC6H18Si2
  • Average mass146.378 Da
  • Monoisotopic mass146.094696 Da
  • ChemSpider ID506631

More details:

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

[(Dimethylsilyl)methyl](trimethyl)silan [German] [ACD/IUPAC Name]
[(Dimethylsilyl)methyl](trimethyl)silane [ACD/IUPAC Name]
[(Diméthylsilyl)méthyl](triméthyl)silane [French] [ACD/IUPAC Name]
2,4-Disilapentane, 2,2,4-trimethyl-
Silane, [(dimethylsilyl)methyl]trimethyl- [ACD/Index Name]
(CH3)2SiHCH2Si(CH3)3
[(Dimethylsilyl)methyl]trimethylsilane
1189-75-9 [RN]
2,2,4-Trimethyl-2,4-disilapentane
2,4,4-trimethyl-2,4-disila-pentane
More...

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

Density:
Boiling Point: 116.6±13.0 °C at 760 mmHg
Vapour Pressure: 21.6±0.2 mmHg at 25°C
Enthalpy of Vaporization: 34.0±3.0 kJ/mol
Flash Point: 24.3±19.8 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2057.07
ACD/KOC (pH 5.5): 8188.81
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2057.07
ACD/KOC (pH 7.4): 8188.81
Polar Surface Area: 0 Å2
Polarizability:
Surface Tension:
Molar Volume:

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

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  6.18

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  -33.32  (Adapted Stein & Brown method)
    Melting Pt (deg C):  11.45  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.36E+003  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.4131
       log Kow used: 6.18 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.0713e-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 :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.543E+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)         :  -0.2418
   Biowin2 (Non-Linear Model)     :   0.0005
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   1.8151  (months      )
   Biowin4 (Primary Survey Model) :   2.8693  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.6642
   Biowin6 (MITI Non-Linear Model):   0.6735
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.8091
 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):  6.35E+005 Pa (4.76E+003 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.73E-012 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.71E-010 
       Mackay model           :  3.78E-010 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.1301 E-12 cm3/molecule-sec
      Half-Life =     9.464 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =   113.572 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.74E-010 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  275.5
      Log Koc:  2.440 

 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 = 4.060 (BCF = 1.149e+004)
       log Kow used: 6.18 (estimated)

 Volatilization from Water:
    Henry LC:  354 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.235  hours
    Half-Life from Model Lake :      114.9  hours   (4.788 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:             100.00  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    58.92  percent
    Total to Air:               40.91  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.98            227          1000       
   Water     3.76            1.44e+003    1000       
   Soil      0.0595          2.88e+003    1000       
   Sediment  93.2            1.3e+004     0          
     Persistence Time: 1.95e+003 hr

Click to predict properties on the Chemicalize site


Advertisement