ChemSpider 2D Image | BSTFA | C8H18F3NOSi2

BSTFA

  • Molecular FormulaC8H18F3NOSi2
  • Average mass257.401 Da
  • Monoisotopic mass257.087891 Da
  • ChemSpider ID4518443
  • Double-bond stereo - Double-bond stereo


More details:






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

(1E)-2,2,2-Trifluoro-N-(triméthylsilyl)éthanimidate de triméthylsilyle [French] [ACD/IUPAC Name]
bis(trimethylsilyl)trifluoroacetamide
Ethanimidic acid, 2,2,2-trifluoro-N-(trimethylsilyl)-, trimethylsilyl ester, (1E)- [ACD/Index Name]
N,O-Bis(trimethylsilyl)trifluoroacetamide
Trimethylsilyl (1E)-2,2,2-trifluoro-N-(trimethylsilyl)ethanimidate [ACD/IUPAC Name]
trimethylsilyl (1E)-2,2,2-trifluoro-N-(trimethylsilyl)ethanimidoate
Trimethylsilyl 2,2,2-trifluoro-N-(trimethylsilyl)acetimidate
trimethylsilyl N-trimethylsilyltrifluoroacetimidate
Trimethylsilyl-(1E)-2,2,2-trifluor-N-(trimethylsilyl)ethanimidat [German] [ACD/IUPAC Name]
More...

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

15209_FLUKA [DBID]
15222_FLUKA [DBID]
15238_FLUKA [DBID]
155195_ALDRICH [DBID]
394653_ALDRICH [DBID]
394858_ALDRICH [DBID]
441104_ALDRICH [DBID]
MFCD00008269 [DBID]
T5634_SIGMA [DBID]
T6381_SIGMA [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 155.0±0.0 °C at 760 mmHg
Vapour Pressure: 4.0±0.2 mmHg at 25°C
Enthalpy of Vaporization: 37.6±3.0 kJ/mol
Flash Point: 23.9±0.0 °C
Index of Refraction: 1.387
Molar Refractivity: 61.2±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1350.29
ACD/KOC (pH 5.5): 6058.06
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1350.57
ACD/KOC (pH 7.4): 6059.29
Polar Surface Area: 22 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 16.1±7.0 dyne/cm
Molar Volume: 259.9±7.0 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) =  5.17

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  145.29  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -57.18  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  4.99  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.8256
       log Kow used: 5.17 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.108 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   2.55E-002  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.047E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.17  (KowWin est)
  Log Kaw used:  0.018  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.152
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.1046
   Biowin2 (Non-Linear Model)     :   0.0018
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1174  (months      )
   Biowin4 (Primary Survey Model) :   3.2020  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0010
   Biowin6 (MITI Non-Linear Model):   0.0000
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3587
 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):  609 Pa (4.57 mm Hg)
  Log Koa (Koawin est  ): 5.152
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.92E-009 
       Octanol/air (Koa) model:  3.48E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.78E-007 
       Mackay model           :  3.94E-007 
       Octanol/air (Koa) model:  2.79E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.8976 E-12 cm3/molecule-sec
      Half-Life =    11.916 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 2.86E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  9546
      Log Koc:  3.980 

 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 = 3.282 (BCF = 1912)
       log Kow used: 5.17 (estimated)

 Volatilization from Water:
    Henry LC:  0.0255 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.674  hours
    Half-Life from Model Lake :      152.8  hours   (6.366 days)

 Removal In Wastewater Treatment:
    Total removal:              94.83  percent
    Total biodegradation:        0.32  percent
    Total sludge adsorption:    60.13  percent
    Total to Air:               34.39  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       3.06            286          1000       
   Water     5.27            1.44e+003    1000       
   Soil      68.5            2.88e+003    1000       
   Sediment  23.2            1.3e+004     0          
     Persistence Time: 1.56e+003 hr




                    

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