Found 24 results

Search term: MF = 'C_{11}H_{26}O_{3}Si_{2}'
ChemSpider 2D Image | Trimethylsilyl 5-[(trimethylsilyl)oxy]pentanoate | C11H26O3Si2

Trimethylsilyl 5-[(trimethylsilyl)oxy]pentanoate

  • Molecular FormulaC11H26O3Si2
  • Average mass262.493 Da
  • Monoisotopic mass262.142059 Da
  • ChemSpider ID512874

More details:

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

5-[(Triméthylsilyl)oxy]pentanoate de triméthylsilyle [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[(trimethylsilyl)oxy]-, trimethylsilyl ester [ACD/Index Name]
Trimethylsilyl 5-[(trimethylsilyl)oxy]pentanoate [ACD/IUPAC Name]
Trimethylsilyl-5-[(trimethylsilyl)oxy]pentanoat [German] [ACD/IUPAC Name]
5-Trimethylsilyloxy-n-valeric acid, trimethylsilyl ester

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

Density: 0.9±0.1 g/cm3
Boiling Point: 248.2±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 86.4±18.2 °C
Index of Refraction: 1.421
Molar Refractivity: 74.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 235.43
ACD/KOC (pH 5.5): 1735.37
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 235.43
ACD/KOC (pH 7.4): 1735.37
Polar Surface Area: 36 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 22.2±3.0 dyne/cm
Molar Volume: 291.4±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) =  4.63

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  241.48  (Adapted Stein & Brown method)
    Melting Pt (deg C):  15.13  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0428  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.239
       log Kow used: 4.63 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2773.2 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.69E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.602E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.63  (KowWin est)
  Log Kaw used:  -1.161  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.791
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6226
   Biowin2 (Non-Linear Model)     :   0.3277
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6191  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4690  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1313
   Biowin6 (MITI Non-Linear Model):   0.0385
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4626
 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):  5.48 Pa (0.0411 mm Hg)
  Log Koa (Koawin est  ): 5.791
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.47E-007 
       Octanol/air (Koa) model:  1.52E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.98E-005 
       Mackay model           :  4.38E-005 
       Octanol/air (Koa) model:  1.21E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.6955 E-12 cm3/molecule-sec
      Half-Life =     0.781 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.372 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.18E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1582
      Log Koc:  3.199 

 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 = 2.865 (BCF = 733.1)
       log Kow used: 4.63 (estimated)

 Volatilization from Water:
    Henry LC:  0.00169 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.215  hours
    Half-Life from Model Lake :        160  hours   (6.667 days)

 Removal In Wastewater Treatment:
    Total removal:              72.54  percent
    Total biodegradation:        0.45  percent
    Total sludge adsorption:    55.51  percent
    Total to Air:               16.57  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.11            18.7         1000       
   Water     8.3             900          1000       
   Soil      82.2            1.8e+003     1000       
   Sediment  8.36            8.1e+003     0          
     Persistence Time: 1.01e+003 hr

Click to predict properties on the Chemicalize site


Advertisement