ChemSpider 2D Image | Dichloro(isobutyl)silane | C4H10Cl2Si

Dichloro(isobutyl)silane

  • Molecular FormulaC4H10Cl2Si
  • Average mass157.114 Da
  • Monoisotopic mass155.992889 Da
  • ChemSpider ID11517625

More details:

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

Dichlor(isobutyl)silan [German] [ACD/IUPAC Name]
Dichloro(isobutyl)silane [ACD/IUPAC Name]
Dichloro(isobutyl)silane [French] [ACD/IUPAC Name]
Silane, dichloro(2-methylpropyl)- [ACD/Index Name]
18236-87-8 [RN]
dichloro(2-methylpropyl)silane
isobutyl dichlorosilane
Isobutyldichlorosilane
MFCD09909999

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

    Density:
    Boiling Point: 118.9±9.0 °C at 760 mmHg
    Vapour Pressure: 19.5±0.2 mmHg at 25°C
    Enthalpy of Vaporization: 34.2±3.0 kJ/mol
    Flash Point: 14.1±5.7 °C
    Index of Refraction:
    Molar Refractivity:
    #H bond acceptors: 0
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 1
    ACD/LogP: 5.18
    ACD/LogD (pH 5.5): 4.24
    ACD/BCF (pH 5.5): 979.63
    ACD/KOC (pH 5.5): 4815.06
    ACD/LogD (pH 7.4): 4.24
    ACD/BCF (pH 7.4): 979.63
    ACD/KOC (pH 7.4): 4815.06
    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) =  3.10

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  106.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -84.77  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  28.5  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  159.8
       log Kow used: 3.10 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  5.9973 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.14E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.687E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.10  (KowWin est)
  Log Kaw used:  0.108  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.992
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6727
   Biowin2 (Non-Linear Model)     :   0.6852
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8520  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6211  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2443
   Biowin6 (MITI Non-Linear Model):   0.1623
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5371
 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):  3.59E+003 Pa (26.9 mm Hg)
  Log Koa (Koawin est  ): 2.992
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.36E-010 
       Octanol/air (Koa) model:  2.41E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.02E-008 
       Mackay model           :  6.69E-008 
       Octanol/air (Koa) model:  1.93E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   3.9845 E-12 cm3/molecule-sec
      Half-Life =     2.684 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    32.213 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.86E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  193
      Log Koc:  2.286 

 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 = 1.685 (BCF = 48.37)
       log Kow used: 3.10 (estimated)

 Volatilization from Water:
    Henry LC:  0.0314 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.302  hours
    Half-Life from Model Lake :      119.3  hours   (4.971 days)

 Removal In Wastewater Treatment:
    Total removal:              92.58  percent
    Total biodegradation:        0.03  percent
    Total sludge adsorption:     3.34  percent
    Total to Air:               89.20  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       28.9            64.4         1000       
   Water     46.9            360          1000       
   Soil      23.3            720          1000       
   Sediment  0.946           3.24e+003    0          
     Persistence Time: 132 hr

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