ChemSpider 2D Image | (2-Isopropoxyethoxy)(trimethyl)silane | C8H20O2Si

(2-Isopropoxyethoxy)(trimethyl)silane

  • Molecular FormulaC8H20O2Si
  • Average mass176.329 Da
  • Monoisotopic mass176.123260 Da
  • ChemSpider ID480632

More details:

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

(2-Isopropoxyethoxy)(trimethyl)silan [German] [ACD/IUPAC Name]
(2-Isopropoxyethoxy)(trimethyl)silane [ACD/IUPAC Name]
(2-Isopropoxyéthoxy)(triméthyl)silane [French] [ACD/IUPAC Name]
Silane, trimethyl[2-(1-methylethoxy)ethoxy]- [ACD/Index Name]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 152.7±13.0 °C at 760 mmHg
Vapour Pressure: 4.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 37.3±3.0 kJ/mol
Flash Point: 34.8±20.2 °C
Index of Refraction: 1.405
Molar Refractivity: 51.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.86
ACD/KOC (pH 5.5): 579.46
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 50.86
ACD/KOC (pH 7.4): 579.46
Polar Surface Area: 18 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 20.6±3.0 dyne/cm
Molar Volume: 209.4±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) =  2.48

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  152.70  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -40.21  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  3.54  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  440.8
       log Kow used: 2.48 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  68522 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.43E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.863E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.48  (KowWin est)
  Log Kaw used:  -1.742  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.222
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.3162
   Biowin2 (Non-Linear Model)     :   0.0509
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8008  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5836  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2392
   Biowin6 (MITI Non-Linear Model):   0.1400
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0671
 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):  431 Pa (3.23 mm Hg)
  Log Koa (Koawin est  ): 4.222
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.97E-009 
       Octanol/air (Koa) model:  4.09E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.52E-007 
       Mackay model           :  5.57E-007 
       Octanol/air (Koa) model:  3.27E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  26.6330 E-12 cm3/molecule-sec
      Half-Life =     0.402 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.819 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 4.04E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  94.06
      Log Koc:  1.973 

 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 = 1.206 (BCF = 16.09)
       log Kow used: 2.48 (estimated)

 Volatilization from Water:
    Henry LC:  0.000443 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       3.11  hours
    Half-Life from Model Lake :      145.3  hours   (6.053 days)

 Removal In Wastewater Treatment:
    Total removal:              18.99  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     2.61  percent
    Total to Air:               16.29  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       2.4             9.64         1000       
   Water     26.4            360          1000       
   Soil      71              720          1000       
   Sediment  0.178           3.24e+003    0          
     Persistence Time: 292 hr

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