3-methacryloxypropyltrimethoxysilane C10H22O4Si structure

Flashcard maker : Lily Taylor

C10H22O4Si structure
Molecular Formula C10H22O4Si
Average mass 234.365 Da
Density 0.9±0.1 g/cm3
Boiling Point 232.6±23.0 °C at 760 mmHg
Flash Point 76.7±23.0 °C
Molar Refractivity 63.6±0.3 cm3
Polarizability 25.2±0.5 10-24cm3
Surface Tension 24.1±3.0 dyne/cm
Molar Volume 249.7±3.0 cm3
  • Predicted – ACD/Labs
  • Predicted – EPISuite
  • Predicted – ChemAxon

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

Density: 0.9±0.1 g/cm3
Boiling Point: 232.6±23.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.0±3.0 kJ/mol
Flash Point: 76.7±23.0 °C
Index of Refraction: 1.423
Molar Refractivity: 63.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.11
ACD/KOC (pH 5.5): 155.66
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.11
ACD/KOC (pH 7.4): 155.66
Polar Surface Area: 37 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 24.1±3.0 dyne/cm
Molar Volume: 249.7±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) = 0.94

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): 239.34 (Adapted Stein & Brown method)
 Melting Pt (deg C): 18.23 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 0.0479 (Mean VP of Antoine & Grain methods)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 4555
 log Kow used: 0.94 (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:
 Silanes (alkoxy)
 Vinyl/Allyl Ethers

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 3.68E-006 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 3.243E-006 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 0.94 (KowWin est)
 Log Kaw used: -3.823 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 4.763
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.2886
 Biowin2 (Non-Linear Model) : 0.0230
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 2.6726 (weeks-months)
 Biowin4 (Primary Survey Model) : 3.4999 (days-weeks )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.2280
 Biowin6 (MITI Non-Linear Model): 0.0762
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.2175
 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): 6.12 Pa (0.0459 mm Hg)
 Log Koa (Koawin est ): 4.763
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 4.9E-007 
 Octanol/air (Koa) model: 1.42E-008 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 1.77E-005 
 Mackay model : 3.92E-005 
 Octanol/air (Koa) model: 1.14E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 72.0146 E-12 cm3/molecule-sec
 Half-Life = 0.149 Days (12-hr day; 1.5E6 OH/cm3)
 Half-Life = 1.782 Hrs
 Ozone Reaction:
 OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec
 Half-Life = 0.955 Days (at 7E11 mol/cm3)
 Half-Life = 22.920 Hrs
 Fraction sorbed to airborne particulates (phi): 2.85E-005 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 1360
 Log Koc: 3.134 

 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 = 0.500 (BCF = 3.162)
 log Kow used: 0.94 (estimated)

 Volatilization from Water:
 Henry LC: 3.68E-006 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 245.1 hours (10.21 days)
 Half-Life from Model Lake : 2802 hours (116.8 days)

 Removal In Wastewater Treatment:
 Total removal: 2.09 percent
 Total biodegradation: 0.09 percent
 Total sludge adsorption: 1.79 percent
 Total to Air: 0.21 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 0.292 3.08 1000 
 Water 50.3 900 1000 
 Soil 49.3 1.8e+003 1000 
 Sediment 0.105 8.1e+003 0 
 Persistence Time: 566 hr




 

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