ChemSpider 2D Image | 1,3-Dimethyl-1,3-diphenyl-1,3-divinyldisiloxane | C18H22OSi2

1,3-Dimethyl-1,3-diphenyl-1,3-divinyldisiloxane

  • Molecular FormulaC18H22OSi2
  • Average mass310.538 Da
  • Monoisotopic mass310.120911 Da
  • ChemSpider ID92411

More details:

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

1,3-Diethenyl-1,3-dimethyl-1,3-diphenyldisiloxane
1,3-Dimethyl-1,3-diphenyl-1,3-divinyldisiloxan [German] [ACD/IUPAC Name]
1,3-Dimethyl-1,3-diphenyl-1,3-divinyldisiloxane [ACD/IUPAC Name]
1,3-Diméthyl-1,3-diphényl-1,3-divinyldisiloxane [French] [ACD/IUPAC Name]
1,3-DIVINYL-1,3-DIPHENYL-1,3-DIMETHYLDISILOXANE
220-101-5 [EINECS]
2627-97-6 [RN]
Benzene, 1,1'-(1,3-diethenyl-1,3-dimethyl-1,3-disiloxanediyl)bis- [ACD/Index Name]
Disiloxane, 1,3-diethenyl-1,3-dimethyl-1,3-diphenyl-
Disiloxane, 1,3-dimethyl-1,3-diphenyl-1,3-divinyl-
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 318.9±15.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 53.8±3.0 kJ/mol
    Flash Point: 122.9±20.8 °C
    Index of Refraction: 1.532
    Molar Refractivity: 98.0±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 7.66
    ACD/LogD (pH 5.5): 6.73
    ACD/BCF (pH 5.5): 76135.55
    ACD/KOC (pH 5.5): 108597.66
    ACD/LogD (pH 7.4): 6.73
    ACD/BCF (pH 7.4): 76135.55
    ACD/KOC (pH 7.4): 108597.66
    Polar Surface Area: 9 Å2
    Polarizability: 38.9±0.5 10-24cm3
    Surface Tension: 29.4±5.0 dyne/cm
    Molar Volume: 316.4±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) =  7.90

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  346.06  (Adapted Stein & Brown method)
    Melting Pt (deg C):  88.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000164 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):  0.0003154
       log Kow used: 7.90 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.7436e-005 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.17E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  5.182E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  7.90  (KowWin est)
  Log Kaw used:  -1.320  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.220
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8559
   Biowin2 (Non-Linear Model)     :   0.9000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5569  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4095  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0916
   Biowin6 (MITI Non-Linear Model):   0.0065
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.2821
 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):  0.0219 Pa (0.000164 mm Hg)
  Log Koa (Koawin est  ): 9.220
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000137 
       Octanol/air (Koa) model:  0.000407 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00493 
       Mackay model           :  0.0109 
       Octanol/air (Koa) model:  0.0316 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  56.7989 E-12 cm3/molecule-sec
      Half-Life =     0.188 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.260 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.350000 E-17 cm3/molecule-sec
      Half-Life =     3.274 Days (at 7E11 mol/cm3)
      Half-Life =     78.583 Hrs
   Fraction sorbed to airborne particulates (phi): 0.00789 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  9.146E+005
      Log Koc:  5.961 

 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 = 3.571 (BCF = 3721)
       log Kow used: 7.90 (estimated)

 Volatilization from Water:
    Henry LC:  0.00117 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       2.68  hours
    Half-Life from Model Lake :        177  hours   (7.375 days)

 Removal In Wastewater Treatment:
    Total removal:              94.01  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.22  percent
    Total to Air:                0.01  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0634          4.27         1000       
   Water     1.93            900          1000       
   Soil      28.2            1.8e+003     1000       
   Sediment  69.8            8.1e+003     0          
     Persistence Time: 3.07e+003 hr

    Click to predict properties on the Chemicalize site


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