Trimethylsilanol C3H10OSi structure – Flashcards
Flashcard maker : Sarah Adrian
Contents
| Molecular Formula | C3H10OSi |
| Average mass | 90.196 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 75.0±9.0 °C at 760 mmHg |
| Flash Point | -0.9±18.7 °C |
| Molar Refractivity | 26.2±0.3 cm3 |
| Polarizability | 10.4±0.5 10-24cm3 |
| Surface Tension | 17.4±3.0 dyne/cm |
| Molar Volume | 111.3±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: | 0.8±0.1 g/cm3 |
| Boiling Point: | 75.0±9.0 °C at 760 mmHg |
| Vapour Pressure: | 73.9±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 36.9±6.0 kJ/mol |
| Flash Point: | -0.9±18.7 °C |
| Index of Refraction: | 1.387 |
| Molar Refractivity: | 26.2±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.04 |
| ACD/LogD (pH 5.5): | 1.06 |
| ACD/BCF (pH 5.5): | 3.77 |
| ACD/KOC (pH 5.5): | 89.95 |
| ACD/LogD (pH 7.4): | 1.06 |
| ACD/BCF (pH 7.4): | 3.77 |
| ACD/KOC (pH 7.4): | 89.95 |
| Polar Surface Area: | 20 Å2 |
| Polarizability: | 10.4±0.5 10-24cm3 |
| Surface Tension: | 17.4±3.0 dyne/cm |
| Molar Volume: | 111.3±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) = 1.14 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 107.11 (Adapted Stein & Brown method) Melting Pt (deg C): -66.01 (Mean or Weighted MP) VP(mm Hg,25 deg C): 13.8 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.256e+004 log Kow used: 1.14 (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: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.06E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.848E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.14 (KowWin est) Log Kaw used: -2.684 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.824 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7046 Biowin2 (Non-Linear Model) : 0.8491 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9998 (weeks ) Biowin4 (Primary Survey Model) : 3.7176 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4450 Biowin6 (MITI Non-Linear Model): 0.4950 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5974 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): 1.72E+003 Pa (12.9 mm Hg) Log Koa (Koawin est ): 3.824 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.74E-009 Octanol/air (Koa) model: 1.64E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.3E-008 Mackay model : 1.4E-007 Octanol/air (Koa) model: 1.31E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.8988 E-12 cm3/molecule-sec Half-Life = 2.743 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 32.921 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.01E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 Log Koc: 1.687 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 = 0.180 (BCF = 1.512) log Kow used: 1.14 (estimated) Volatilization from Water: Henry LC: 5.06E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 11.96 hours Half-Life from Model Lake : 210.1 hours (8.754 days) Removal In Wastewater Treatment: Total removal: 4.50 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.77 percent Total to Air: 2.64 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 7.34 65 1000 Water 41.7 360 1000 Soil 50.9 720 1000 Sediment 0.0862 3.24e+003 0 Persistence Time: 310 hr
