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Search term: 13688-55-6 (Found by approved synonym)
ChemSpider 2D Image | MFCD00156432 | C6H12O2Si

MFCD00156432

  • Molecular FormulaC6H12O2Si
  • Average mass144.244 Da
  • Monoisotopic mass144.060654 Da
  • ChemSpider ID482330

More details:

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

13688-55-6 [RN]
2-Propenoic acid, trimethylsilyl ester [ACD/Index Name]
Acrylate de triméthylsilyle [French] [ACD/IUPAC Name]
Acrylic acid trimethylsilanyl ester
Acrylic acid, trimethylsilyl ester
MFCD00156432
Trimethylsilyl acrylate [ACD/IUPAC Name]
TRIMETHYLSILYL PROP-2-ENOATE
Trimethylsilyl-acrylat [German] [ACD/IUPAC Name]
(O-TMS acrylate)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

560138_ALDRICH [DBID]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 111.1±9.0 °C at 760 mmHg
Vapour Pressure: 23.1±0.2 mmHg at 25°C
Enthalpy of Vaporization: 35.0±3.0 kJ/mol
Flash Point: 17.6±14.3 °C
Index of Refraction: 1.409
Molar Refractivity: 40.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 16.29
ACD/KOC (pH 5.5): 256.48
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 16.29
ACD/KOC (pH 7.4): 256.48
Polar Surface Area: 26 Å2
Polarizability: 15.9±0.5 10-24cm3
Surface Tension: 20.3±3.0 dyne/cm
Molar Volume: 161.9±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) =  2.50

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  123.54  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -54.44  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  13.4  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  586.1
       log Kow used: 2.50 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  15024 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.74E-003  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  4.339E-003 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.50  (KowWin est)
  Log Kaw used:  -1.148  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  3.648
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6789
   Biowin2 (Non-Linear Model)     :   0.7232
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8804  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6396  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3028
   Biowin6 (MITI Non-Linear Model):   0.1832
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3768
 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):  1.65E+003 Pa (12.4 mm Hg)
  Log Koa (Koawin est  ): 3.648
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  1.81E-009 
       Octanol/air (Koa) model:  1.09E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  6.55E-008 
       Mackay model           :  1.45E-007 
       Octanol/air (Koa) model:  8.73E-008 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   9.6538 E-12 cm3/molecule-sec
      Half-Life =     1.108 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    13.295 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): 1.05E-007 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  33.59
      Log Koc:  1.526 

 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 = 1.227 (BCF = 16.86)
       log Kow used: 2.50 (estimated)

 Volatilization from Water:
    Henry LC:  0.00174 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       1.63  hours
    Half-Life from Model Lake :      118.5  hours   (4.937 days)

 Removal In Wastewater Treatment:
    Total removal:              42.84  percent
    Total biodegradation:        0.07  percent
    Total sludge adsorption:     2.16  percent
    Total to Air:               40.61  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       9.05            22.7         1000       
   Water     34.9            360          1000       
   Soil      55.8            720          1000       
   Sediment  0.243           3.24e+003    0          
     Persistence Time: 192 hr

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