ChemSpider 2D Image | 2,5-Dichloro-2-methyl-2,5-disilahexane | C5H14Cl2Si2

2,5-Dichloro-2-methyl-2,5-disilahexane

  • Molecular FormulaC5H14Cl2Si2
  • Average mass201.242 Da
  • Monoisotopic mass200.001114 Da
  • ChemSpider ID20137336

More details:

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

2,5-Dichloro-2-methyl-2,5-disilahexane
Chlor{2-[chlor(methyl)silyl]ethyl}dimethylsilan [German] [ACD/IUPAC Name]
Chloro{2-[chloro(methyl)silyl]ethyl}dimethylsilane [ACD/IUPAC Name]
Chloro{2-[chloro(méthyl)silyl]éthyl}diméthylsilane [French] [ACD/IUPAC Name]
Silane, chloro[2-(chloromethylsilyl)ethyl]dimethyl- [ACD/Index Name]
Chloro(2-[chloro(methyl)silyl]ethyl)dimethylsilane

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

Density:
Boiling Point: 182.4±23.0 °C at 760 mmHg
Vapour Pressure: 1.1±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.2±3.0 kJ/mol
Flash Point: 64.1±22.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 7963.88
ACD/KOC (pH 5.5): 21578.21
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 7963.88
ACD/KOC (pH 7.4): 21578.21
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) =  4.07

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  142.79  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -57.06  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.59  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  14.3
       log Kow used: 4.07 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.014815 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.35E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.035E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.07  (KowWin est)
  Log Kaw used:  0.340  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.730
      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)    :   0.2135
   Biowin6 (MITI Non-Linear Model):   0.0857
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6493
 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):  684 Pa (5.13 mm Hg)
  Log Koa (Koawin est  ): 3.730
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.39E-009 
       Octanol/air (Koa) model:  1.32E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.58E-007 
       Mackay model           :  3.51E-007 
       Octanol/air (Koa) model:  1.05E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   2.9762 E-12 cm3/molecule-sec
      Half-Life =     3.594 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    43.126 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.55E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  508.2
      Log Koc:  2.706 

 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 = 2.437 (BCF = 273.7)
       log Kow used: 4.07 (estimated)

 Volatilization from Water:
    Henry LC:  0.0535 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:              96.12  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:    19.96  percent
    Total to Air:               76.07  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       17.2            86.3         1000       
   Water     27              360          1000       
   Soil      51.8            720          1000       
   Sediment  4.01            3.24e+003    0          
     Persistence Time: 227 hr

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