ChemSpider 2D Image | (2-Furyloxy)(dimethyl)(2-methyl-2-propanyl)silane | C10H18O2Si

(2-Furyloxy)(dimethyl)(2-methyl-2-propanyl)silane

  • Molecular FormulaC10H18O2Si
  • Average mass198.334 Da
  • Monoisotopic mass198.107605 Da
  • ChemSpider ID9042584

More details:

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

(2-Furyloxy)(dimethyl)(2-methyl-2-propanyl)silan [German] [ACD/IUPAC Name]
(2-Furyloxy)(dimethyl)(2-methyl-2-propanyl)silane [ACD/IUPAC Name]
(2-Furyloxy)(diméthyl)(2-méthyl-2-propanyl)silane [French] [ACD/IUPAC Name]
Silane, (1,1-dimethylethyl)(2-furanyloxy)dimethyl- [ACD/Index Name]
121896-38-6 [RN]
2-(tert-Butyldimethylsilyloxy)furan
MFCD27942279

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

Density: 0.9±0.1 g/cm3
Boiling Point: 203.3±13.0 °C at 760 mmHg
Vapour Pressure: 0.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.2±3.0 kJ/mol
Flash Point: 76.7±19.8 °C
Index of Refraction: 1.445
Molar Refractivity: 57.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.07
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.54
ACD/KOC (pH 5.5): 102.75
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.54
ACD/KOC (pH 7.4): 102.75
Polar Surface Area: 22 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 23.2±3.0 dyne/cm
Molar Volume: 214.5±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) =  4.58

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  196.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  9.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.431  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  5.468
       log Kow used: 4.58 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  239.95 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.40E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.057E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.58  (KowWin est)
  Log Kaw used:  -0.242  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.822
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4692
   Biowin2 (Non-Linear Model)     :   0.1779
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5487  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4081  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2164
   Biowin6 (MITI Non-Linear Model):   0.0876
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.1823
 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):  52.5 Pa (0.394 mm Hg)
  Log Koa (Koawin est  ): 4.822
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.71E-008 
       Octanol/air (Koa) model:  1.63E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.06E-006 
       Mackay model           :  4.57E-006 
       Octanol/air (Koa) model:  1.3E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 200.8010 E-12 cm3/molecule-sec
      Half-Life =     0.053 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.639 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 3.32E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5278
      Log Koc:  3.723 

 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 = 2.827 (BCF = 671.3)
       log Kow used: 4.58 (estimated)

 Volatilization from Water:
    Henry LC:  0.014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.496  hours
    Half-Life from Model Lake :      134.4  hours   (5.6 days)

 Removal In Wastewater Treatment:
    Total removal:              89.99  percent
    Total biodegradation:        0.22  percent
    Total sludge adsorption:    41.94  percent
    Total to Air:               47.82  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.145           1.28         1000       
   Water     10.2            900          1000       
   Soil      80.5            1.8e+003     1000       
   Sediment  9.16            8.1e+003     0          
     Persistence Time: 769 hr

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