ChemSpider 2D Image | 1,3-Dipropyl-1,1,3,3-tetramethyldisilazane | C10H27NSi2

1,3-Dipropyl-1,1,3,3-tetramethyldisilazane

  • Molecular FormulaC10H27NSi2
  • Average mass217.499 Da
  • Monoisotopic mass217.168198 Da
  • ChemSpider ID123278

More details:

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

1,3-Dipropyl-1,1,3,3-tetramethyldisilazane
N-[Dimethyl(propyl)silyl]-1,1-dimethyl-1-propylsilanamin [German] [ACD/IUPAC Name]
N-[Dimethyl(propyl)silyl]-1,1-dimethyl-1-propylsilanamine [ACD/IUPAC Name]
N-[Diméthyl(propyl)silyl]-1,1-diméthyl-1-propylsilanamine [French] [ACD/IUPAC Name]
Silanamine, N-(dimethylpropylsilyl)-1,1-dimethyl-1-propyl- [ACD/Index Name]
1,3-di-n-propyl-1,1,3,3-tetramethyl disilazane
1,3-DI-N-PROPYL-1,1,3,3-TETRAMETHYLDISILAZANE
1,3-DI-n-PROPYLTETRAMETHYLDISILAZANE
1,3-Dipropyl-1,1,3,3-tetramethyldisilazane1,3,-Di-n-propyltetramethyldisilazane
1-[[[dimethyl(propyl)silyl]amino]-dimethylsilyl]propane
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 0.8±0.1 g/cm3
    Boiling Point: 213.0±9.0 °C at 760 mmHg
    Vapour Pressure: 0.2±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 44.9±3.0 kJ/mol
    Flash Point: 82.6±18.7 °C
    Index of Refraction: 1.421
    Molar Refractivity: 69.4±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.45
    ACD/LogD (pH 5.5): 2.28
    ACD/BCF (pH 5.5): 5.74
    ACD/KOC (pH 5.5): 15.99
    ACD/LogD (pH 7.4): 2.28
    ACD/BCF (pH 7.4): 5.76
    ACD/KOC (pH 7.4): 16.04
    Polar Surface Area: 12 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 19.6±3.0 dyne/cm
    Molar Volume: 273.9±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) =  4.58

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  195.34  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -9.93  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.455  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  4.337
       log Kow used: 4.58 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.075281 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.70E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.002E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.58  (KowWin est)
  Log Kaw used:  -1.957  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.537
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6440
   Biowin2 (Non-Linear Model)     :   0.4800
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7185  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5339  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2652
   Biowin6 (MITI Non-Linear Model):   0.1280
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.4626
 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):  55.3 Pa (0.415 mm Hg)
  Log Koa (Koawin est  ): 6.537
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.42E-008 
       Octanol/air (Koa) model:  8.45E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.96E-006 
       Mackay model           :  4.34E-006 
       Octanol/air (Koa) model:  6.76E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   5.7580 E-12 cm3/molecule-sec
      Half-Life =     1.858 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    22.291 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.15E-006 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  5279
      Log Koc:  3.723 

 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 = 2.828 (BCF = 673)
       log Kow used: 4.58 (estimated)

 Volatilization from Water:
    Henry LC:  0.00027 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      4.703  hours
    Half-Life from Model Lake :        175  hours   (7.29 days)

 Removal In Wastewater Treatment:
    Total removal:              62.79  percent
    Total biodegradation:        0.52  percent
    Total sludge adsorption:    57.97  percent
    Total to Air:                4.29  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       1.7             44.6         1000       
   Water     9.95            900          1000       
   Soil      79.4            1.8e+003     1000       
   Sediment  8.95            8.1e+003     0          
     Persistence Time: 1.08e+003 hr

    Click to predict properties on the Chemicalize site


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