ChemSpider 2D Image | Dimethyl(phenyl)propadienylsilane | C11H14Si

Dimethyl(phenyl)propadienylsilane

  • Molecular FormulaC11H14Si
  • Average mass174.314 Da
  • Monoisotopic mass174.086472 Da
  • ChemSpider ID9074435

More details:

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

Benzene, (dimethyl-1,2-propadienylsilyl)- [ACD/Index Name]
Dimethyl(phenyl)propadienylsilan [German] [ACD/IUPAC Name]
Dimethyl(phenyl)propadienylsilane [ACD/IUPAC Name]
Diméthyl(phényl)propadiénylsilane [French] [ACD/IUPAC Name]
75405-41-3 [RN]
dimethyl(phenyl)(propa-1,2-dien-1-yl)silane

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

Density: 0.9±0.1 g/cm3
Boiling Point: 221.2±7.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 43.9±3.0 kJ/mol
Flash Point: 73.0±11.7 °C
Index of Refraction: 1.488
Molar Refractivity: 58.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 819.96
ACD/KOC (pH 5.5): 4239.29
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 819.96
ACD/KOC (pH 7.4): 4239.29
Polar Surface Area: 0 Å2
Polarizability: 23.2±0.5 10-24cm3
Surface Tension: 17.4±5.0 dyne/cm
Molar Volume: 202.9±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) =  5.05

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  210.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -5.64  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.215  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.837
       log Kow used: 5.05 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  26.343 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.37E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.738E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.05  (KowWin est)
  Log Kaw used:  -0.252  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.302
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7926
   Biowin2 (Non-Linear Model)     :   0.9115
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8360  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6011  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2540
   Biowin6 (MITI Non-Linear Model):   0.1441
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.1974
 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):  26.4 Pa (0.198 mm Hg)
  Log Koa (Koawin est  ): 5.302
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.14E-007 
       Octanol/air (Koa) model:  4.92E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.1E-006 
       Mackay model           :  9.09E-006 
       Octanol/air (Koa) model:  3.94E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  33.2490 E-12 cm3/molecule-sec
      Half-Life =     0.322 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.860 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.015000 E-17 cm3/molecule-sec
      Half-Life =    76.400 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 6.6E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1820
      Log Koc:  3.260 

 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 = 3.191 (BCF = 1552)
       log Kow used: 5.05 (estimated)

 Volatilization from Water:
    Henry LC:  0.0137 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.404  hours
    Half-Life from Model Lake :        126  hours   (5.251 days)

 Removal In Wastewater Treatment:
    Total removal:              91.95  percent
    Total biodegradation:        0.36  percent
    Total sludge adsorption:    60.35  percent
    Total to Air:               31.24  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.03            7.69         1000       
   Water     12.8            360          1000       
   Soil      69.8            720          1000       
   Sediment  16.3            3.24e+003    0          
     Persistence Time: 471 hr

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