Trimethylsilyl trimethylsiloxyacetate C8H20O3Si2 structure – Flashcards
Flashcard maker : Alexandra Robertson
Contents
| Molecular Formula | C8H20O3Si2 |
| Average mass | 220.414 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 176.5±23.0 °C at 760 mmHg |
| Flash Point | 43.3±0.0 °C |
| Molar Refractivity | 60.1±0.3 cm3 |
| Polarizability | 23.8±0.5 10-24cm3 |
| Surface Tension | 20.2±3.0 dyne/cm |
| Molar Volume | 241.9±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.9±0.1 g/cm3 |
| Boiling Point: | 176.5±23.0 °C at 760 mmHg |
| Vapour Pressure: | 1.1±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 41.3±3.0 kJ/mol |
| Flash Point: | 43.3±0.0 °C |
| Index of Refraction: | 1.411 |
| Molar Refractivity: | 60.1±0.3 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 5 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.78 |
| ACD/LogD (pH 5.5): | 2.66 |
| ACD/BCF (pH 5.5): | 62.23 |
| ACD/KOC (pH 5.5): | 669.52 |
| ACD/LogD (pH 7.4): | 2.66 |
| ACD/BCF (pH 7.4): | 62.23 |
| ACD/KOC (pH 7.4): | 669.52 |
| Polar Surface Area: | 36 Å2 |
| Polarizability: | 23.8±0.5 10-24cm3 |
| Surface Tension: | 20.2±3.0 dyne/cm |
| Molar Volume: | 241.9±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) = 3.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 183.62 (Adapted Stein & Brown method) Melting Pt (deg C): -18.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.809 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 68.98 log Kow used: 3.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 95097 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Esters Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.12E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.401E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.16 (KowWin est) Log Kaw used: -0.679 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.839 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6426 Biowin2 (Non-Linear Model) : 0.4697 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7121 (weeks-months) Biowin4 (Primary Survey Model) : 3.5297 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1083 Biowin6 (MITI Non-Linear Model): 0.0359 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3846 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): 98.1 Pa (0.736 mm Hg) Log Koa (Koawin est ): 3.839 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.06E-008 Octanol/air (Koa) model: 1.69E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.1E-006 Mackay model : 2.45E-006 Octanol/air (Koa) model: 1.36E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.6638 E-12 cm3/molecule-sec Half-Life = 4.015 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 48.184 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.77E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 252.1 Log Koc: 2.402 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 = 1.731 (BCF = 53.79) log Kow used: 3.16 (estimated) Volatilization from Water: Henry LC: 0.00512 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.685 hours Half-Life from Model Lake : 142.9 hours (5.953 days) Removal In Wastewater Treatment: Total removal: 68.21 percent Total biodegradation: 0.06 percent Total sludge adsorption: 4.73 percent Total to Air: 63.42 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 14.7 96.4 1000 Water 26.1 900 1000 Soil 58.4 1.8e+003 1000 Sediment 0.853 8.1e+003 0 Persistence Time: 311 hr
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