Tris(trimethylsilyl)amine C9H27NSi3 structure – Flashcards
Flashcard maker : Kenneth McQuaid
| Molecular Formula | C9H27NSi3 |
| Average mass | 233.574 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 189.8±0.0 °C at 760 mmHg |
| Flash Point | 75.9±22.6 °C |
| Molar Refractivity | 73.6±0.3 cm3 |
| Polarizability | 29.2±0.5 10-24cm3 |
| Surface Tension | 17.2±3.0 dyne/cm |
| Molar Volume | 291.6±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: | 189.8±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.6±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 42.6±3.0 kJ/mol |
| Flash Point: | 75.9±22.6 °C |
| Index of Refraction: | 1.419 |
| Molar Refractivity: | 73.6±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.62 |
| ACD/LogD (pH 5.5): | 2.82 |
| ACD/BCF (pH 5.5): | 14.73 |
| ACD/KOC (pH 5.5): | 31.39 |
| ACD/LogD (pH 7.4): | 2.82 |
| ACD/BCF (pH 7.4): | 14.73 |
| ACD/KOC (pH 7.4): | 31.39 |
| Polar Surface Area: | 3 Å2 |
| Polarizability: | 29.2±0.5 10-24cm3 |
| Surface Tension: | 17.2±3.0 dyne/cm |
| Molar Volume: | 291.6±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) = 4.22 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 139.75 (Adapted Stein & Brown method) Melting Pt (deg C): -54.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 6.43 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 7.195 log Kow used: 4.22 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.0034319 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silamines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.36E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.747E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.22 (KowWin est) Log Kaw used: -1.749 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.969 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6363 Biowin2 (Non-Linear Model) : 0.4236 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6830 (weeks-months) Biowin4 (Primary Survey Model) : 3.5107 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.0209 Biowin6 (MITI Non-Linear Model): 0.0172 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1199 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): 788 Pa (5.91 mm Hg) Log Koa (Koawin est ): 5.969 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.81E-009 Octanol/air (Koa) model: 2.29E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.38E-007 Mackay model : 3.05E-007 Octanol/air (Koa) model: 1.83E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.3464 E-12 cm3/molecule-sec Half-Life = 7.944 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 95.330 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.21E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2997 Log Koc: 3.477 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 = 2.552 (BCF = 356.6) log Kow used: 4.22 (estimated) Volatilization from Water: Henry LC: 0.000436 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 3.612 hours Half-Life from Model Lake : 167.6 hours (6.981 days) Removal In Wastewater Treatment: Total removal: 48.42 percent Total biodegradation: 0.37 percent Total sludge adsorption: 38.38 percent Total to Air: 9.68 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.57 191 1000 Water 9.88 900 1000 Soil 82.7 1.8e+003 1000 Sediment 3.89 8.1e+003 0 Persistence Time: 1.02e+003 hr
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