Found 19 results

Search term: C24H26Si2 (Found by molecular formula)
ChemSpider 2D Image | (3,6-Phenanthrenediyldi-2,1-ethynediyl)bis(trimethylsilane) | C24H26Si2

(3,6-Phenanthrenediyldi-2,1-ethynediyl)bis(trimethylsilane)

  • Molecular FormulaC24H26Si2
  • Average mass370.634 Da
  • Monoisotopic mass370.157318 Da
  • ChemSpider ID17254736

More details:

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

(3,6-Phenanthrendiyldi-2,1-ethindiyl)bis(trimethylsilan) [German] [ACD/IUPAC Name]
(3,6-Phenanthrenediyldi-2,1-ethynediyl)bis(trimethylsilane) [ACD/IUPAC Name]
(3,6-Phénanthrènediyldi-2,1-éthynediyl)bis(triméthylsilane) [French] [ACD/IUPAC Name]
Phenanthrene, 3,6-bis[2-(trimethylsilyl)ethynyl]- [ACD/Index Name]
[Phenanthrene-3,6-diyldi(ethyne-2,1-diyl)]bis(trimethylsilane)
918778-81-1 [RN]
TRIMETHYL(2-{6-[2-(TRIMETHYLSILYL)ETHYNYL]PHENANTHREN-3-YL}ETHYNYL)SILANE

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

Density: 1.0±0.1 g/cm3
Boiling Point: 458.0±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 214.1±20.6 °C
Index of Refraction: 1.596
Molar Refractivity: 121.7±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 9.15
ACD/LogD (pH 5.5): 8.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1179262.38
ACD/LogD (pH 7.4): 8.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1179262.38
Polar Surface Area: 0 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 37.7±5.0 dyne/cm
Molar Volume: 357.9±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) =  8.76

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  456.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  192.32  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  5.91E-009  (Modified Grain method)
    Subcooled liquid VP: 3.37E-007 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):  1.183e-005
       log Kow used: 8.76 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  3.7065e-007 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   6.86E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.436E-004 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  8.76  (KowWin est)
  Log Kaw used:  -3.552  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  12.312
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5711
   Biowin2 (Non-Linear Model)     :   0.0950
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.3801  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3130  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.3223
   Biowin6 (MITI Non-Linear Model):   0.0008
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.4048
 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):  4.49E-005 Pa (3.37E-007 mm Hg)
  Log Koa (Koawin est  ): 12.312
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0668 
       Octanol/air (Koa) model:  0.504 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.707 
       Mackay model           :  0.842 
       Octanol/air (Koa) model:  0.976 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  58.2422 E-12 cm3/molecule-sec
      Half-Life =     0.184 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.204 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.072000 E-17 cm3/molecule-sec
      Half-Life =    15.917 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 0.775 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.149E+007
      Log Koc:  7.060 

 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 = 2.394 (BCF = 248)
       log Kow used: 8.76 (estimated)

 Volatilization from Water:
    Henry LC:  6.86E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      166.3  hours   (6.928 days)
    Half-Life from Model Lake :       1975  hours   (82.31 days)

 Removal In Wastewater Treatment:
    Total removal:              94.03  percent
    Total biodegradation:        0.78  percent
    Total sludge adsorption:    93.25  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0538          4.36         1000       
   Water     1.86            900          1000       
   Soil      29.8            1.8e+003     1000       
   Sediment  68.3            8.1e+003     0          
     Persistence Time: 3.22e+003 hr

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