ChemSpider 2D Image | Methane, bis(dimethylchlorosilyl)- | C5H14Cl2Si2

Methane, bis(dimethylchlorosilyl)-

  • Molecular FormulaC5H14Cl2Si2
  • Average mass201.242 Da
  • Monoisotopic mass200.001114 Da
  • ChemSpider ID71638

More details:

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

2,4-Dichloro-2,4-dimethyl-2,4-disilapentane
5357-38-0 [RN]
Methane, bis(dimethylchlorosilyl)-
Methylenbis[chlor(dimethyl)silan] [German] [ACD/IUPAC Name]
Methylenebis[chloro(dimethyl)silane] [ACD/IUPAC Name]
Méthylènebis[chloro(diméthyl)silane] [French] [ACD/IUPAC Name]
Silane, 1,1'-methylenebis[1-chloro-1,1-dimethyl- [ACD/Index Name]
124211-70-7 [RN]
5448-56-6 [RN]
BIS(CHLORODIMETHYLSILYL)METHANE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 166.9±13.0 °C at 760 mmHg
Vapour Pressure: 2.3±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.7±3.0 kJ/mol
Flash Point: 47.6±14.6 °C
Index of Refraction: 1.424
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7603.70
ACD/KOC (pH 5.5): 20875.11
ACD/LogD (pH 7.4): 5.41
ACD/BCF (pH 7.4): 7603.70
ACD/KOC (pH 7.4): 20875.11
Polar Surface Area: 0 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 18.6±3.0 dyne/cm
Molar Volume: 205.3±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) =  4.13

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  110.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -59.22  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  23.6  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  12.8
       log Kow used: 4.13 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.024347 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.55E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.882E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.13  (KowWin est)
  Log Kaw used:  0.356  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.774
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6517
   Biowin2 (Non-Linear Model)     :   0.5377
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7544  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5574  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1645
   Biowin6 (MITI Non-Linear Model):   0.0586
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5438
 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):  2.96E+003 Pa (22.2 mm Hg)
  Log Koa (Koawin est  ): 3.774
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.01E-009 
       Octanol/air (Koa) model:  1.46E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.66E-008 
       Mackay model           :  8.11E-008 
       Octanol/air (Koa) model:  1.17E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.7285 E-12 cm3/molecule-sec
      Half-Life =     6.188 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    74.254 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 5.88E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  393.3
      Log Koc:  2.595 

 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 = 2.480 (BCF = 302.3)
       log Kow used: 4.13 (estimated)

 Volatilization from Water:
    Henry LC:  0.0555 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.463  hours
    Half-Life from Model Lake :      134.9  hours   (5.621 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.32  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:    21.85  percent
    Total to Air:               74.38  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       19.4            149          1000       
   Water     25.1            360          1000       
   Soil      51.3            720          1000       
   Sediment  4.24            3.24e+003    0          
     Persistence Time: 245 hr

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