ChemSpider 2D Image | Dimethyl(2-methyl-2-propanyl)[(2-vinyl-2-cyclohexen-1-yl)oxy]silane | C14H26OSi

Dimethyl(2-methyl-2-propanyl)[(2-vinyl-2-cyclohexen-1-yl)oxy]silane

  • Molecular FormulaC14H26OSi
  • Average mass238.441 Da
  • Monoisotopic mass238.175293 Da
  • ChemSpider ID9152718

More details:

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

Cyclohexene, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-ethenyl- [ACD/Index Name]
Dimethyl(2-methyl-2-propanyl)[(2-vinyl-2-cyclohexen-1-yl)oxy]silan [German] [ACD/IUPAC Name]
Dimethyl(2-methyl-2-propanyl)[(2-vinyl-2-cyclohexen-1-yl)oxy]silane [ACD/IUPAC Name]
Diméthyl(2-méthyl-2-propanyl)[(2-vinyl-2-cyclohexén-1-yl)oxy]silane [French] [ACD/IUPAC Name]
188926-28-5 [RN]
AGN-PC-0NDTPK
SILANE, (1,1-DIMETHYLETHYL)[(2-ETHENYL-2-CYCLOHEXEN-1-YL)OXY]DIMETHYL-

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

Density: 0.9±0.1 g/cm3
Boiling Point: 265.1±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.3±3.0 kJ/mol
Flash Point: 110.6±14.5 °C
Index of Refraction: 1.461
Molar Refractivity: 74.8±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 2366.94
ACD/KOC (pH 5.5): 9053.98
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2366.94
ACD/KOC (pH 7.4): 9053.98
Polar Surface Area: 9 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 25.0±5.0 dyne/cm
Molar Volume: 272.2±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) =  6.16

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  250.83  (Adapted Stein & Brown method)
    Melting Pt (deg C):  29.30  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0233  (Modified Grain method)
    Subcooled liquid VP: 0.0255 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.1501
       log Kow used: 6.16 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  42.052 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.65E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.870E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.16  (KowWin est)
  Log Kaw used:  0.495  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.665
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.4501
   Biowin2 (Non-Linear Model)     :   0.1091
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4601  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3503  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1688
   Biowin6 (MITI Non-Linear Model):   0.0404
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5107
 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):  3.4 Pa (0.0255 mm Hg)
  Log Koa (Koawin est  ): 5.665
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.82E-007 
       Octanol/air (Koa) model:  1.14E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.19E-005 
       Mackay model           :  7.06E-005 
       Octanol/air (Koa) model:  9.08E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 161.3318 E-12 cm3/molecule-sec
      Half-Life =     0.066 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     0.796 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    18.000000 E-17 cm3/molecule-sec
      Half-Life =     0.064 Days (at 7E11 mol/cm3)
      Half-Life =      1.528 Hrs
   Reaction With Nitrate Radicals May Be Important!
   Fraction sorbed to airborne particulates (phi): 5.12E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  3.11E+004
      Log Koc:  4.493 

 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 = 4.044 (BCF = 1.105e+004)
       log Kow used: 6.16 (estimated)

 Volatilization from Water:
    Henry LC:  0.0765 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.588  hours
    Half-Life from Model Lake :      146.8  hours   (6.117 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              96.27  percent
    Total biodegradation:        0.48  percent
    Total sludge adsorption:    75.82  percent
    Total to Air:               19.97  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0231          0.78         1000       
   Water     3.21            900          1000       
   Soil      38.9            1.8e+003     1000       
   Sediment  57.8            8.1e+003     0          
     Persistence Time: 2.1e+003 hr

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