TMOS C4H12O4Si structure – Flashcards
Flashcard maker : Ember Wagner
Contents
| Molecular Formula | C4H12O4Si |
| Average mass | 152.221 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 121.2±8.0 °C at 760 mmHg |
| Flash Point | 28.9±0.0 °C |
| Molar Refractivity | 36.3±0.3 cm3 |
| Polarizability | 14.4±0.5 10-24cm3 |
| Surface Tension | 19.9±3.0 dyne/cm |
| Molar Volume | 155.7±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: | 1.0±0.1 g/cm3 |
| Boiling Point: | 121.2±8.0 °C at 760 mmHg |
| Vapour Pressure: | 17.7±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 34.4±3.0 kJ/mol |
| Flash Point: | 28.9±0.0 °C |
| Index of Refraction: | 1.382 |
| Molar Refractivity: | 36.3±0.3 cm3 |
| #H bond acceptors: | 4 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.97 |
| ACD/LogD (pH 5.5): | 0.44 |
| ACD/BCF (pH 5.5): | 1.27 |
| ACD/KOC (pH 5.5): | 41.29 |
| ACD/LogD (pH 7.4): | 0.44 |
| ACD/BCF (pH 7.4): | 1.27 |
| ACD/KOC (pH 7.4): | 41.29 |
| Polar Surface Area: | 37 Å2 |
| Polarizability: | 14.4±0.5 10-24cm3 |
| Surface Tension: | 19.9±3.0 dyne/cm |
| Molar Volume: | 155.7±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) = -1.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 122.94 (Adapted Stein & Brown method) Melting Pt (deg C): -41.70 (Mean or Weighted MP) VP(mm Hg,25 deg C): 15 (Mean VP of Antoine & Grain methods) MP (exp database): -2 deg C BP (exp database): 121 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -1.93 (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 : 6.35E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.004E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -1.93 (KowWin est) Log Kaw used: -3.586 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.656 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6751 Biowin2 (Non-Linear Model) : 0.7000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8628 (weeks ) Biowin4 (Primary Survey Model) : 3.6281 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2609 Biowin6 (MITI Non-Linear Model): 0.1429 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5178 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): 1.87E+003 Pa (14 mm Hg) Log Koa (Koawin est ): 1.656 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.61E-009 Octanol/air (Koa) model: 1.11E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.8E-008 Mackay model : 1.29E-007 Octanol/air (Koa) model: 8.89E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.3184 E-12 cm3/molecule-sec Half-Life = 3.223 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 38.679 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 9.33E-008 (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: -1.93 (estimated) Volatilization from Water: Henry LC: 6.35E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 115 hours (4.792 days) Half-Life from Model Lake : 1358 hours (56.59 days) Removal In Wastewater Treatment: Total removal: 2.20 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.36 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.57 77.4 1000 Water 46.4 360 1000 Soil 47.9 720 1000 Sediment 0.0849 3.24e+003 0 Persistence Time: 348 hr
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