ChemSpider 2D Image | 1,1,1,2,2-Pentamethyl-2-[(1E)-2-phenyl-1-propen-1-yl]disilane | C14H24Si2

1,1,1,2,2-Pentamethyl-2-[(1E)-2-phenyl-1-propen-1-yl]disilane

  • Molecular FormulaC14H24Si2
  • Average mass248.511 Da
  • Monoisotopic mass248.141647 Da
  • ChemSpider ID8575226

  • Double-bond stereo - Double-bond stereo

More details:

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

1,1,1,2,2-Pentamethyl-2-[(1E)-2-phenyl-1-propen-1-yl]disilan [German] [ACD/IUPAC Name]
1,1,1,2,2-Pentamethyl-2-[(1E)-2-phenyl-1-propen-1-yl]disilane [ACD/IUPAC Name]
1,1,1,2,2-Pentaméthyl-2-[(1E)-2-phényl-1-propén-1-yl]disilane [French] [ACD/IUPAC Name]
Benzene, [(E)-1-methyl-2-(1,1,2,2,2-pentamethyldisilanyl)ethenyl]- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 266.9±10.0 °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: 97.3±12.0 °C
Index of Refraction: 1.477
Molar Refractivity: 81.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19385.59
ACD/KOC (pH 5.5): 40790.95
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19385.59
ACD/KOC (pH 7.4): 40790.95
Polar Surface Area: 0 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 22.7±3.0 dyne/cm
Molar Volume: 287.8±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) =  6.64

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  258.84  (Adapted Stein & Brown method)
    Melting Pt (deg C):  8.51  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0169  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.05099
       log Kow used: 6.64 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  9.9649e-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 :   Incomplete
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.084E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Can Not Estimate (can not calculate HenryLC)

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7573
   Biowin2 (Non-Linear Model)     :   0.7823
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6720  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4941  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0225
   Biowin6 (MITI Non-Linear Model):   0.0198
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0262
 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):  2.25 Pa (0.0169 mm Hg)
  Log Koa (): not available
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.33E-006 
       Octanol/air (Koa) model:  not available
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.81E-005 
       Mackay model           :  0.000106 
       Octanol/air (Koa) model:  not available

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  89.6172 E-12 cm3/molecule-sec
      Half-Life =     0.119 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.432 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    13.650000 E-17 cm3/molecule-sec
      Half-Life =     0.084 Days (at 7E11 mol/cm3)
      Half-Life =      2.015 Hrs
   Fraction sorbed to airborne particulates (phi): 7.73E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.969E+004
      Log Koc:  4.473 

 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 = 4.416 (BCF = 2.609e+004)
       log Kow used: 6.64 (estimated)

 Volatilization from Water:
    Henry LC:  0.108 atm-m3/mole  (calculated from VP/WS)
    Half-Life from Model River:      1.617  hours
    Half-Life from Model Lake :      149.8  hours   (6.243 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              95.60  percent
    Total biodegradation:        0.59  percent
    Total sludge adsorption:    82.40  percent
    Total to Air:               12.62  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0244          1.18         1000       
   Water     2.39            900          1000       
   Soil      32.1            1.8e+003     1000       
   Sediment  65.5            8.1e+003     0          
     Persistence Time: 2.63e+003 hr

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