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ChemSpider 2D Image | Aniline, N,N-bis(trimethylsilyl)- | C12H23NSi2

Aniline, N,N-bis(trimethylsilyl)-

  • Molecular FormulaC12H23NSi2
  • Average mass237.489 Da
  • Monoisotopic mass237.136902 Da
  • ChemSpider ID121775

More details:

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

1,1,1-Trimethyl-N-phenyl-N-(trimethylsilyl)silanamin [German] [ACD/IUPAC Name]
1,1,1-Trimethyl-N-phenyl-N-(trimethylsilyl)silanamine [ACD/IUPAC Name]
1,1,1-Triméthyl-N-phényl-N-(triméthylsilyl)silanamine [French] [ACD/IUPAC Name]
Aniline, N,N-bis(trimethylsilyl)-
Benzenamine, N,N-bis(trimethylsilyl)- [ACD/Index Name]
Silanamine, 1,1,1-trimethyl-N-phenyl-N-(trimethylsilyl)-
1,1,1,3,3,3-HEXAMETHYL-2-PHENYLDISILAZANE
4147-89-1 [RN]
N,N-Bis(trimethylsilyl)aniline
Phenylbis(trimethylsilyl)amine
More...

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

Density: 0.9±0.1 g/cm3
Boiling Point: 248.3±23.0 °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: 104.0±22.6 °C
Index of Refraction: 1.490
Molar Refractivity: 76.5±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 394.32
ACD/KOC (pH 5.5): 1203.35
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4514.07
ACD/KOC (pH 7.4): 13775.77
Polar Surface Area: 3 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 24.1±3.0 dyne/cm
Molar Volume: 264.9±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) =  4.96

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  240.22  (Adapted Stein & Brown method)
    Melting Pt (deg C):  17.56  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0458  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  1.608
       log Kow used: 4.96 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.009613 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   4.48E-004  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  8.900E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.96  (KowWin est)
  Log Kaw used:  -1.737  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.697
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7626
   Biowin2 (Non-Linear Model)     :   0.8077
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.6963  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.5100  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0491
   Biowin6 (MITI Non-Linear Model):   0.0263
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0997
 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):  5.85 Pa (0.0439 mm Hg)
  Log Koa (Koawin est  ): 6.697
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.13E-007 
       Octanol/air (Koa) model:  1.22E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.85E-005 
       Mackay model           :  4.1E-005 
       Octanol/air (Koa) model:  9.77E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  13.3141 E-12 cm3/molecule-sec
      Half-Life =     0.803 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     9.640 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.98E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2651
      Log Koc:  3.423 

 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 = 3.120 (BCF = 1317)
       log Kow used: 4.96 (estimated)

 Volatilization from Water:
    Henry LC:  0.000448 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      3.587  hours
    Half-Life from Model Lake :      168.3  hours   (7.014 days)

 Removal In Wastewater Treatment:
    Total removal:              77.92  percent
    Total biodegradation:        0.63  percent
    Total sludge adsorption:    73.79  percent
    Total to Air:                3.50  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.893           19.3         1000       
   Water     8.18            900          1000       
   Soil      73.8            1.8e+003     1000       
   Sediment  17.1            8.1e+003     0          
     Persistence Time: 1.17e+003 hr

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