ChemSpider 2D Image | 1,2-Bis(trimethylsiloxy)cyclobutene | C10H22O2Si2

1,2-Bis(trimethylsiloxy)cyclobutene

  • Molecular FormulaC10H22O2Si2
  • Average mass230.452 Da
  • Monoisotopic mass230.115829 Da
  • ChemSpider ID2015792

More details:

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

[1-Cyclobuten-1,2-diylbis(oxy)]bis(trimethylsilan) [German] [ACD/IUPAC Name]
[1-Cyclobutene-1,2-diylbis(oxy)]bis(trimethylsilane) [ACD/IUPAC Name]
[1-Cyclobutène-1,2-diylbis(oxy)]bis(triméthylsilane) [French] [ACD/IUPAC Name]
[Cyclobut-1-ene-1,2-diylbis(oxy)]bis(trimethylsilane)
1,2-Bis(trimethylsiloxy)cyclobutene
17082-61-0 [RN]
Cyclobutene, 1,2-bis[(trimethylsilyl)oxy]- [ACD/Index Name]
MFCD00010798 [MDL number]
[17082-61-0] [RN]
[Cyclobut-1-en-1,2-diylbis(oxy)]bis(trimethylsilan)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1367530 [DBID]
293830_ALDRICH [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 215.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.3±3.0 kJ/mol
Flash Point: 61.1±0.0 °C
Index of Refraction: 1.442
Molar Refractivity: 66.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 781.66
ACD/KOC (pH 5.5): 4096.60
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 781.66
ACD/KOC (pH 7.4): 4096.60
Polar Surface Area: 18 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 21.3±5.0 dyne/cm
Molar Volume: 252.2±5.0 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) =  4.11

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  209.58  (Adapted Stein & Brown method)
    Melting Pt (deg C):  12.36  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.223  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  9.371
       log Kow used: 4.11 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  69582 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.03E-001  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.216E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.11  (KowWin est)
  Log Kaw used:  0.919  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.191
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6378
   Biowin2 (Non-Linear Model)     :   0.4344
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6899  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5152  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0685
   Biowin6 (MITI Non-Linear Model):   0.0283
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1186
 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):  27.3 Pa (0.205 mm Hg)
  Log Koa (Koawin est  ): 3.191
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.1E-007 
       Octanol/air (Koa) model:  3.81E-010 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.96E-006 
       Mackay model           :  8.78E-006 
       Octanol/air (Koa) model:  3.05E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 111.5409 E-12 cm3/molecule-sec
      Half-Life =     0.096 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.151 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    88.724998 E-17 cm3/molecule-sec
      Half-Life =     0.013 Days (at 7E11 mol/cm3)
      Half-Life =     18.599 Min
   Fraction sorbed to airborne particulates (phi): 6.37E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  4886
      Log Koc:  3.689 

 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 = 2.464 (BCF = 291)
       log Kow used: 4.11 (estimated)

 Volatilization from Water:
    Henry LC:  0.203 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.553  hours
    Half-Life from Model Lake :      144.2  hours   (6.01 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              98.94  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:    20.61  percent
    Total to Air:               78.26  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.219           0.273        1000       
   Water     51.6            900          1000       
   Soil      32.4            1.8e+003     1000       
   Sediment  15.8            8.1e+003     0          
     Persistence Time: 151 hr

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