ChemSpider 2D Image | VV1302500 | C7H18N2Si2

VV1302500

  • Molecular FormulaC7H18N2Si2
  • Average mass186.402 Da
  • Monoisotopic mass186.100845 Da
  • ChemSpider ID63651

More details:

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

1,3-Bis(trimethylsilyl)carbodiimide
1000-70-0 [RN]
2,2,6,6-tetramethyl-3,5-diaza-2,6-disilahepta-3,4-diene
213-673-2 [EINECS]
Bis(trimethylsilyl)carbodiimide
carbodiimide, bis(trimethylsilyl)-
MFCD00051538 [MDL number]
N,N'-Bis(trimethylsilyl)carbodiimid [German] [ACD/IUPAC Name]
N,N'-Bis(trimethylsilyl)carbodiimide [ACD/IUPAC Name]
N,N-Bis(trimethylsilyl)carbodiimide
More...

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

344338_ALDRICH [DBID]
BRN 2042082 [DBID]

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

Density: 0.8±0.1 g/cm3
Boiling Point: 165.8±9.0 °C at 760 mmHg
Vapour Pressure: 2.4±0.3 mmHg at 25°C
Enthalpy of Vaporization: 38.6±3.0 kJ/mol
Flash Point: 54.1±18.7 °C
Index of Refraction: 1.424
Molar Refractivity: 58.1±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2844.61
ACD/KOC (pH 5.5): 10327.25
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2844.61
ACD/KOC (pH 7.4): 10327.25
Polar Surface Area: 25 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 17.7±7.0 dyne/cm
Molar Volume: 227.7±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) =  5.08

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  148.81  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -63.49  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  2.08  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -23 deg C
    BP  (exp database):  164 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.332
       log Kow used: 5.08 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.0058941 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.67E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.188E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.08  (KowWin est)
  Log Kaw used:  -1.166  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.246
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6588
   Biowin2 (Non-Linear Model)     :   0.5895
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7872  (weeks       )
   Biowin4 (Primary Survey Model) :   3.5788  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.1600
   Biowin6 (MITI Non-Linear Model):   0.0607
 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):  252 Pa (1.89 mm Hg)
  Log Koa (Koawin est  ): 6.246
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.19E-008 
       Octanol/air (Koa) model:  4.33E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  4.3E-007 
       Mackay model           :  9.52E-007 
       Octanol/air (Koa) model:  3.46E-005 

 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): 6.91E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1338
      Log Koc:  3.126 

 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 = 3.215 (BCF = 1639)
       log Kow used: 5.08 (estimated)

 Volatilization from Water:
    Henry LC:  0.00167 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      1.872  hours
    Half-Life from Model Lake :      134.9  hours   (5.621 days)

 Removal In Wastewater Treatment:
    Total removal:              83.31  percent
    Total biodegradation:        0.60  percent
    Total sludge adsorption:    74.47  percent
    Total to Air:                8.24  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.97            286          1000       
   Water     12              360          1000       
   Soil      64.8            720          1000       
   Sediment  16.3            3.24e+003    0          
     Persistence Time: 532 hr

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