ChemSpider 2D Image | 1-(Trimethoxysilyl)-2-propanyl methacrylate | C10H20O5Si

1-(Trimethoxysilyl)-2-propanyl methacrylate

  • Molecular FormulaC10H20O5Si
  • Average mass248.348 Da
  • Monoisotopic mass248.108002 Da
  • ChemSpider ID93473

More details:

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

1-(Trimethoxysilyl)-2-propanyl methacrylate [ACD/IUPAC Name]
1-(Trimethoxysilyl)-2-propanylmethacrylat [German] [ACD/IUPAC Name]
1-(Trimethoxysilyl)propan-2-yl methacrylate
1-Methyl-2-(trimethoxysilyl)ethyl 2-methyl-2-propenoate
257-374-5 [EINECS]
2-Propenoic acid, 2-methyl-, 1-methyl-2-(trimethoxysilyl)ethyl ester [ACD/Index Name]
51749-70-3 [RN]
Méthacrylate de 1-(triméthoxysilyl)-2-propanyle [French] [ACD/IUPAC Name]
1-(TRIMETHOXYSILYL)PROPAN-2-YL 2-METHYLPROP-2-ENOATE
1-methyl-2-(trimethoxysilyl)ethyl methacrylate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 247.8±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: 86.2±18.2 °C
Index of Refraction: 1.428
Molar Refractivity: 63.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.43
ACD/BCF (pH 5.5): 7.14
ACD/KOC (pH 5.5): 142.08
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.14
ACD/KOC (pH 7.4): 142.08
Polar Surface Area: 54 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 25.5±3.0 dyne/cm
Molar Volume: 247.2±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) =  0.68

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  250.24  (Adapted Stein & Brown method)
    Melting Pt (deg C):  23.96  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.0269  (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6347
       log Kow used: 0.68 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

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

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.01E-007  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.385E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  0.68  (KowWin est)
  Log Kaw used:  -4.910  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  5.590
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.8035
   Biowin2 (Non-Linear Model)     :   0.9724
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.7906  (weeks       )
   Biowin4 (Primary Survey Model) :   3.7184  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3302
   Biowin6 (MITI Non-Linear Model):   0.1527
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3232
 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):  3.51 Pa (0.0263 mm Hg)
  Log Koa (Koawin est  ): 5.590
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  8.56E-007 
       Octanol/air (Koa) model:  9.55E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  3.09E-005 
       Mackay model           :  6.84E-005 
       Octanol/air (Koa) model:  7.64E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  25.8637 E-12 cm3/molecule-sec
      Half-Life =     0.414 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.963 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =     1.137500 E-17 cm3/molecule-sec
      Half-Life =     1.007 Days (at 7E11 mol/cm3)
      Half-Life =     24.179 Hrs
   Fraction sorbed to airborne particulates (phi): 4.97E-005 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1782
      Log Koc:  3.251 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
  Total Kb for pH > 8 at 25 deg C :  2.415E-003  L/mol-sec
  Kb Half-Life at pH 8:       9.093  years  
  Kb Half-Life at pH 7:      90.927  years  

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: 0.68 (estimated)

 Volatilization from Water:
    Henry LC:  3.01E-007 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:       3067  hours   (127.8 days)
    Half-Life from Model Lake : 3.359E+004  hours   (1400 days)

 Removal In Wastewater Treatment:
    Total removal:               1.88  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.77  percent
    Total to Air:                0.02  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.835           7.04         1000       
   Water     44.9            360          1000       
   Soil      54.2            720          1000       
   Sediment  0.0859          3.24e+003    0          
     Persistence Time: 365 hr

Click to predict properties on the Chemicalize site


Advertisement