Chloro(triisopropyl)silane C9H21ClSi structure – Flashcards
Flashcard maker : Gracie Stone
Contents
| Molecular Formula | C9H21ClSi |
| Average mass | 192.801 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 199.1±0.0 °C at 760 mmHg |
| Flash Point | 62.8±0.0 °C |
| Molar Refractivity | 57.2±0.3 cm3 |
| Polarizability | 22.7±0.5 10-24cm3 |
| Surface Tension | 20.6±3.0 dyne/cm |
| Molar Volume | 225.3±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- 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: | 199.1±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.5±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 41.8±3.0 kJ/mol |
| Flash Point: | 62.8±0.0 °C |
| Index of Refraction: | 1.421 |
| Molar Refractivity: | 57.2±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 4.81 |
| ACD/LogD (pH 5.5): | 4.77 |
| ACD/BCF (pH 5.5): | 2478.55 |
| ACD/KOC (pH 5.5): | 9357.56 |
| ACD/LogD (pH 7.4): | 4.77 |
| ACD/BCF (pH 7.4): | 2478.55 |
| ACD/KOC (pH 7.4): | 9357.56 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 22.7±0.5 10-24cm3 |
| Surface Tension: | 20.6±3.0 dyne/cm |
| Molar Volume: | 225.3±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) = 5.21 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 135.22 (Adapted Stein & Brown method) Melting Pt (deg C): -61.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.9 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.699 log Kow used: 5.21 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.22333 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.50E-001 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.180E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.21 (KowWin est) Log Kaw used: 1.156 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.054 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6558 Biowin2 (Non-Linear Model) : 0.5673 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7731 (weeks ) Biowin4 (Primary Survey Model) : 3.5696 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0110 Biowin6 (MITI Non-Linear Model): 0.0383 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1389 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): 972 Pa (7.29 mm Hg) Log Koa (Koawin est ): 4.054 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.09E-009 Octanol/air (Koa) model: 2.78E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.11E-007 Mackay model : 2.47E-007 Octanol/air (Koa) model: 2.22E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.4057 E-12 cm3/molecule-sec Half-Life = 1.444 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.332 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.79E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1555 Log Koc: 3.192 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 = 3.310 (BCF = 2041) log Kow used: 5.21 (estimated) Volatilization from Water: Henry LC: 0.35 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.419 hours Half-Life from Model Lake : 131.9 hours (5.496 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.47 percent Total biodegradation: 0.17 percent Total sludge adsorption: 52.82 percent Total to Air: 46.48 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.71 34.7 1000 Water 16.3 360 1000 Soil 49.1 720 1000 Sediment 28.9 3.24e+003 0 Persistence Time: 366 hr
Click to predict properties on the Chemicalize site
- 1-Click Docking
- 1-Click Scaffold Hop
