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ChemSpider 2D Image | TRIS-VC | C15H37NO5Si4

TRIS-VC

  • Molecular FormulaC15H37NO5Si4
  • Average mass423.800 Da
  • Monoisotopic mass423.174866 Da
  • ChemSpider ID9468141

More details:

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

(3-{1,1,1,5,5,5-Hexaméthyl-3-[(triméthylsilyl)oxy]-3-trisiloxanyl}propyl)carbamate de vinyle [French] [ACD/IUPAC Name]
134072-99-4 [RN]
3-(TRIS(TRIMETHYLSILOXY)SILYL)PROPYL VINYL CARBAMATE
Carbamic acid, N-[3-[3,3,3-trimethyl-1,1-bis[(trimethylsilyl)oxy]disiloxanyl]propyl]-, ethenyl ester [ACD/Index Name]
N-vinyloxycarbonyl-3-aminopropyl-tris(trimethylsiloxysilane)
TRIS-VC
Vinyl (3-{1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]-3-trisiloxanyl}propyl)carbamate [ACD/IUPAC Name]
Vinyl-(3-{1,1,1,5,5,5-hexamethyl-3-[(trimethylsilyl)oxy]-3-trisiloxanyl}propyl)carbamat [German] [ACD/IUPAC Name]
3-[Tris(trimethylsiloxy)silyl]propyl vinyl carbamate

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

63626G2KWL [DBID]
UNII:63626G2KWL [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.437
Molar Refractivity: 116.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 7.15
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 13940.81
ACD/KOC (pH 5.5): 32215.81
ACD/LogD (pH 7.4): 5.76
ACD/BCF (pH 7.4): 13940.14
ACD/KOC (pH 7.4): 32214.25
Polar Surface Area: 66 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 22.1±3.0 dyne/cm
Molar Volume: 445.6±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) =  6.39

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  334.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  82.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.94E-005  (Modified Grain method)
    Subcooled liquid VP: 0.000314 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):  0.0002033
       log Kow used: 6.39 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.00030565 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   7.93E-006  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.452E-001 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  6.39  (KowWin est)
  Log Kaw used:  -3.489  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.879
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6253
   Biowin2 (Non-Linear Model)     :   0.1192
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2159  (months      )
   Biowin4 (Primary Survey Model) :   3.4299  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.4217
   Biowin6 (MITI Non-Linear Model):   0.0004
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0227
 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):  0.0419 Pa (0.000314 mm Hg)
  Log Koa (Koawin est  ): 9.879
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  7.17E-005 
       Octanol/air (Koa) model:  0.00186 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00258 
       Mackay model           :  0.0057 
       Octanol/air (Koa) model:  0.129 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  41.6393 E-12 cm3/molecule-sec
      Half-Life =     0.257 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     3.082 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     0.175000 E-17 cm3/molecule-sec
      Half-Life =     6.549 Days (at 7E11 mol/cm3)
   Fraction sorbed to airborne particulates (phi): 0.00414 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  2.309E+005
      Log Koc:  5.364 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  1.432E-001  L/mol-sec
  Kb Half-Life at pH 8:      56.025  days   
  Kb Half-Life at pH 7:       1.534  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 4.223 (BCF = 1.67e+004)
       log Kow used: 6.39 (estimated)

 Volatilization from Water:
    Henry LC:  7.93E-006 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      154.1  hours   (6.421 days)
    Half-Life from Model Lake :       1854  hours   (77.24 days)

 Removal In Wastewater Treatment:
    Total removal:              93.26  percent
    Total biodegradation:        0.77  percent
    Total sludge adsorption:    92.48  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0625          5.93         1000       
   Water     2.11            1.44e+003    1000       
   Soil      33              2.88e+003    1000       
   Sediment  64.8            1.3e+004     0          
     Persistence Time: 4.21e+003 hr

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