ChemSpider 2D Image | tert-butyl(2-iodoethoxy)dimethylsilane | C8H19IOSi

tert-butyl(2-iodoethoxy)dimethylsilane

  • Molecular FormulaC8H19IOSi
  • Average mass286.226 Da
  • Monoisotopic mass286.024963 Da
  • ChemSpider ID9304993

More details:

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

(2-Iodethoxy)(dimethyl)(2-methyl-2-propanyl)silan [German] [ACD/IUPAC Name]
(2-Iodoethoxy)(dimethyl)(2-methyl-2-propanyl)silane [ACD/IUPAC Name]
(2-Iodoéthoxy)(diméthyl)(2-méthyl-2-propanyl)silane [French] [ACD/IUPAC Name]
101166-65-8 [RN]
Silane, (1,1-dimethylethyl)(2-iodoethoxy)dimethyl- [ACD/Index Name]
tert-butyl(2-iodoethoxy)dimethylsilane
tert-butyl-(2-iodoethoxy)-dimethylsilane
(1,1-DIMETHYLETHYL)(2-IODOETHOXY)DIMETHYL-SILANE
[101166-65-8] [RN]
1-(tert-Butyldimethylsilyloxy)-2-iodoethane
More...

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

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 209.8±23.0 °C at 760 mmHg
    Vapour Pressure: 0.3±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 42.8±3.0 kJ/mol
    Flash Point: 80.7±22.6 °C
    Index of Refraction: 1.476
    Molar Refractivity: 62.5±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.17
    ACD/LogD (pH 5.5): 3.79
    ACD/BCF (pH 5.5): 443.35
    ACD/KOC (pH 5.5): 2729.91
    ACD/LogD (pH 7.4): 3.79
    ACD/BCF (pH 7.4): 443.35
    ACD/KOC (pH 7.4): 2729.91
    Polar Surface Area: 9 Å2
    Polarizability: 24.8±0.5 10-24cm3
    Surface Tension: 25.6±3.0 dyne/cm
    Molar Volume: 221.6±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) =  4.45

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  219.62  (Adapted Stein & Brown method)
    Melting Pt (deg C):  5.95  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.134  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.322
       log Kow used: 4.45 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  442.03 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Silanes (alkoxy)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.75E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.173E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.45  (KowWin est)
  Log Kaw used:  -0.814  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.264
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4273
   Biowin2 (Non-Linear Model)     :   0.0585
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3545  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2813  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0291
   Biowin6 (MITI Non-Linear Model):   0.0123
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1560
 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):  16.5 Pa (0.124 mm Hg)
  Log Koa (Koawin est  ): 5.264
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.81E-007 
       Octanol/air (Koa) model:  4.51E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.55E-006 
       Mackay model           :  1.45E-005 
       Octanol/air (Koa) model:  3.61E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.1544 E-12 cm3/molecule-sec
      Half-Life =     2.075 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    24.901 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 1.05E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1519
      Log Koc:  3.181 

 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 = 2.729 (BCF = 535.8)
       log Kow used: 4.45 (estimated)

 Volatilization from Water:
    Henry LC:  0.00375 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.991  hours
    Half-Life from Model Lake :      163.6  hours   (6.816 days)

 Removal In Wastewater Treatment:
    Total removal:              75.69  percent
    Total biodegradation:        0.31  percent
    Total sludge adsorption:    42.64  percent
    Total to Air:               32.75  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.56            49.8         1000       
   Water     8.83            900          1000       
   Soil      82.7            1.8e+003     1000       
   Sediment  5.91            8.1e+003     0          
     Persistence Time: 915 hr

    Click to predict properties on the Chemicalize site


    Advertisement