Ethyltrimethoxysilane C5H14O3Si structure – Flashcards
Flashcard maker : Christine Brunetti
Contents
| Molecular Formula | C5H14O3Si |
| Average mass | 150.248 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 124.3±0.0 °C at 760 mmHg |
| Flash Point | 24.2±21.3 °C |
| Molar Refractivity | 39.2±0.3 cm3 |
| Polarizability | 15.5±0.5 10-24cm3 |
| Surface Tension | 19.6±3.0 dyne/cm |
| Molar Volume | 165.9±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.9±0.1 g/cm3 |
| Boiling Point: | 124.3±0.0 °C at 760 mmHg |
| Vapour Pressure: | 15.5±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 34.7±3.0 kJ/mol |
| Flash Point: | 24.2±21.3 °C |
| Index of Refraction: | 1.388 |
| Molar Refractivity: | 39.2±0.3 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.67 |
| ACD/LogD (pH 5.5): | 0.50 |
| ACD/BCF (pH 5.5): | 1.41 |
| ACD/KOC (pH 5.5): | 44.62 |
| ACD/LogD (pH 7.4): | 0.50 |
| ACD/BCF (pH 7.4): | 1.41 |
| ACD/KOC (pH 7.4): | 44.62 |
| Polar Surface Area: | 28 Å2 |
| Polarizability: | 15.5±0.5 10-24cm3 |
| Surface Tension: | 19.6±3.0 dyne/cm |
| Molar Volume: | 165.9±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) = -0.18 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 122.05 (Adapted Stein & Brown method) Melting Pt (deg C): -47.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 12.9 (Mean VP of Antoine & Grain methods) BP (exp database): 124.3 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.079e+005 log Kow used: -0.18 (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) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.15E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.364E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.18 (KowWin est) Log Kaw used: -2.328 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.148 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6760 Biowin2 (Non-Linear Model) : 0.7058 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8671 (weeks ) Biowin4 (Primary Survey Model) : 3.6310 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3162 Biowin6 (MITI Non-Linear Model): 0.2134 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5438 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): 1.6E+003 Pa (12 mm Hg) Log Koa (Koawin est ): 2.148 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.87E-009 Octanol/air (Koa) model: 3.45E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.77E-008 Mackay model : 1.5E-007 Octanol/air (Koa) model: 2.76E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.6835 E-12 cm3/molecule-sec Half-Life = 2.904 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 34.845 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.09E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 757.6 Log Koc: 2.879 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: -0.18 (estimated) Volatilization from Water: Henry LC: 0.000115 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 7.491 hours Half-Life from Model Lake : 184.5 hours (7.688 days) Removal In Wastewater Treatment: Total removal: 7.29 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.67 percent Total to Air: 5.52 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 12.1 69.7 1000 Water 47.4 360 1000 Soil 40.4 720 1000 Sediment 0.0872 3.24e+003 0 Persistence Time: 239 hr
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