ChemSpider 2D Image | 1,8-bis(trimethoxysilyl)octane | C14H34O6Si2

1,8-bis(trimethoxysilyl)octane

  • Molecular FormulaC14H34O6Si2
  • Average mass354.587 Da
  • Monoisotopic mass354.189392 Da
  • ChemSpider ID13725263

More details:

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

1,8-bis(trimethoxysilyl)octane
105566-68-5 [RN]
2,13-Dioxa-3,12-disilatetradecane, 3,3,12,12-tetramethoxy- [ACD/Index Name]
3,3,12,12-Tetramethoxy-2,13-dioxa-3,12-disilatetradecan [German] [ACD/IUPAC Name]
3,3,12,12-Tetramethoxy-2,13-dioxa-3,12-disilatetradecane [ACD/IUPAC Name]
3,3,12,12-Tétraméthoxy-2,13-dioxa-3,12-disilatétradécane [French] [ACD/IUPAC Name]
1,8-BIS(TRIMETHOXYSILY)OCTANE
1,8-BIS-(TRIMETHOXYSILY)OCTANE
1,8-bis(trimethoxysilyl) octane
MFCD09953839

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 317.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 53.7±3.0 kJ/mol
    Flash Point: 126.3±23.6 °C
    Index of Refraction: 1.427
    Molar Refractivity: 94.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 0
    ACD/LogP: 2.70
    ACD/LogD (pH 5.5): 1.89
    ACD/BCF (pH 5.5): 16.01
    ACD/KOC (pH 5.5): 253.35
    ACD/LogD (pH 7.4): 1.89
    ACD/BCF (pH 7.4): 16.01
    ACD/KOC (pH 7.4): 253.35
    Polar Surface Area: 55 Å2
    Polarizability: 37.6±0.5 10-24cm3
    Surface Tension: 25.0±3.0 dyne/cm
    Molar Volume: 369.3±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) =  1.26

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  332.01  (Adapted Stein & Brown method)
    Melting Pt (deg C):  92.88  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  7.75E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000351 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):  485.9
       log Kow used: 1.26 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.42E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  7.442E-008 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  1.26  (KowWin est)
  Log Kaw used:  -4.518  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.778
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.5787
   Biowin2 (Non-Linear Model)     :   0.1164
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.4156  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.3361  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0550
   Biowin6 (MITI Non-Linear Model):   0.0154
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.5666
 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):  0.0468 Pa (0.000351 mm Hg)
  Log Koa (Koawin est  ): 5.778
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.41E-005 
       Octanol/air (Koa) model:  1.47E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00231 
       Mackay model           :  0.0051 
       Octanol/air (Koa) model:  1.18E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  15.9833 E-12 cm3/molecule-sec
      Half-Life =     0.669 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     8.030 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.00371 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1.755E+006
      Log Koc:  6.244 

 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 = 0.272 (BCF = 1.87)
       log Kow used: 1.26 (estimated)

 Volatilization from Water:
    Henry LC:  7.42E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1488  hours   (61.99 days)
    Half-Life from Model Lake : 1.639E+004  hours   (682.8 days)

 Removal In Wastewater Treatment:
    Total removal:               1.96  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.83  percent
    Total to Air:                0.04  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.995           16.1         1000       
   Water     45              900          1000       
   Soil      53.9            1.8e+003     1000       
   Sediment  0.102           8.1e+003     0          
     Persistence Time: 652 hr

    Click to predict properties on the Chemicalize site


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