ChemSpider 2D Image | (Iodomethyl)silane | CH5ISi

(Iodomethyl)silane

  • Molecular FormulaCH5ISi
  • Average mass172.040 Da
  • Monoisotopic mass171.920517 Da
  • ChemSpider ID20137288

More details:






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

(Iodmethyl)silan [German] [ACD/IUPAC Name]
(Iodomethyl)silane [ACD/IUPAC Name]
(Iodométhyl)silane [French] [ACD/IUPAC Name]
Silane, (iodomethyl)- [ACD/Index Name]
18089-64-0 [RN]
7570-22-1 [RN]
CTK0E3085
iodomethylsilane
SILANE, IODOMETHYL- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 87.9±23.0 °C at 760 mmHg
Vapour Pressure: 70.2±0.2 mmHg at 25°C
Enthalpy of Vaporization: 31.5±3.0 kJ/mol
Flash Point: 7.0±22.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
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) =  1.84

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  92.89  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -84.98  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  50.8  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1629
       log Kow used: 1.84 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  30.584 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.32E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.059E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.84  (KowWin est)
  Log Kaw used:  -0.588  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  2.428
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6656
   Biowin2 (Non-Linear Model)     :   0.6378
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8190  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5995  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2497
   Biowin6 (MITI Non-Linear Model):   0.1180
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.8621
 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):  6.47E+003 Pa (48.5 mm Hg)
  Log Koa (Koawin est  ): 2.428
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.64E-010 
       Octanol/air (Koa) model:  6.58E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.68E-008 
       Mackay model           :  3.71E-008 
       Octanol/air (Koa) model:  5.26E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.5445 E-12 cm3/molecule-sec
      Half-Life =    19.643 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.69E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  23.74
      Log Koc:  1.376 

 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 = 0.713 (BCF = 5.164)
       log Kow used: 1.84 (estimated)

 Volatilization from Water:
    Henry LC:  0.00632 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.46  hours
    Half-Life from Model Lake :      125.9  hours   (5.246 days)

 Removal In Wastewater Treatment:
    Total removal:              71.53  percent
    Total biodegradation:        0.04  percent
    Total sludge adsorption:     0.88  percent
    Total to Air:               70.62  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       47.8            471          1000       
   Water     43.3            360          1000       
   Soil      8.73            720          1000       
   Sediment  0.131           3.24e+003    0          
     Persistence Time: 146 hr




                    

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