ChemSpider 2D Image | Bis(iodomethyl)(dimethyl)silane | C4H10I2Si

Bis(iodomethyl)(dimethyl)silane

  • Molecular FormulaC4H10I2Si
  • Average mass340.017 Da
  • Monoisotopic mass339.864105 Da
  • ChemSpider ID229208

More details:

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

Bis(iodmethyl)(dimethyl)silan [German] [ACD/IUPAC Name]
Bis(iodomethyl)(dimethyl)silane [ACD/IUPAC Name]
Bis(iodométhyl)(diméthyl)silane [French] [ACD/IUPAC Name]
Silane, bis(iodomethyl)dimethyl- [ACD/Index Name]
18243-15-7 [RN]
18299-82-6 [RN]
bis-(iodomethyl)dimethylsilane

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

NSC93010 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 215.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.4±3.0 kJ/mol
Flash Point: 84.3±20.4 °C
Index of Refraction: 1.572
Molar Refractivity: 55.2±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 389.67
ACD/KOC (pH 5.5): 2489.00
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 389.67
ACD/KOC (pH 7.4): 2489.00
Polar Surface Area: 0 Å2
Polarizability: 21.9±0.5 10-24cm3
Surface Tension: 31.7±3.0 dyne/cm
Molar Volume: 168.0±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) =  4.24

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  232.03  (Adapted Stein & Brown method)
    Melting Pt (deg C):  3.74  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0703  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.718
       log Kow used: 4.24 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.33456 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.23E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.831E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.24  (KowWin est)
  Log Kaw used:  -1.299  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.539
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5857
   Biowin2 (Non-Linear Model)     :   0.1395
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4478  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3572  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.1998
   Biowin6 (MITI Non-Linear Model):   0.0017
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7289
 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):  8.87 Pa (0.0665 mm Hg)
  Log Koa (Koawin est  ): 5.539
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  3.38E-007 
       Octanol/air (Koa) model:  8.49E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.22E-005 
       Mackay model           :  2.71E-005 
       Octanol/air (Koa) model:  6.79E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   1.3882 E-12 cm3/molecule-sec
      Half-Life =     7.705 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    92.456 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.96E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  192
      Log Koc:  2.283 

 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 = 2.561 (BCF = 364.1)
       log Kow used: 4.24 (estimated)

 Volatilization from Water:
    Henry LC:  0.00123 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.759  hours
    Half-Life from Model Lake :      184.7  hours   (7.697 days)

 Removal In Wastewater Treatment:
    Total removal:              57.64  percent
    Total biodegradation:        0.33  percent
    Total sludge adsorption:    36.92  percent
    Total to Air:               20.39  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       4.02            185          1000       
   Water     9.03            900          1000       
   Soil      83.2            1.8e+003     1000       
   Sediment  3.73            8.1e+003     0          
     Persistence Time: 965 hr

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