silicon tetrabromide Br4Si structure – Flashcards
Flashcard maker : Ken Ericksen
| Molecular Formula | Br4Si |
| Average mass | 347.702 Da |
| Density | 3.0±0.1 g/cm3 |
| Boiling Point | 154.0±9.0 °C at 760 mmHg |
| Flash Point | |
| Molar Refractivity | 41.7±0.3 cm3 |
| Polarizability | 16.5±0.5 10-24cm3 |
| Surface Tension | 43.2±3.0 dyne/cm |
| Molar Volume | 117.0±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 3.0±0.1 g/cm3 |
| Boiling Point: | 154.0±9.0 °C at 760 mmHg |
| Vapour Pressure: | 4.2±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 37.9±0.0 kJ/mol |
| Flash Point: | |
| Index of Refraction: | 1.631 |
| Molar Refractivity: | 41.7±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 5.86 |
| ACD/LogD (pH 5.5): | |
| ACD/BCF (pH 5.5): | |
| ACD/KOC (pH 5.5): | |
| ACD/LogD (pH 7.4): | |
| ACD/BCF (pH 7.4): | |
| ACD/KOC (pH 7.4): | |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 16.5±0.5 10-24cm3 |
| Surface Tension: | 43.2±3.0 dyne/cm |
| Molar Volume: | 117.0±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) = 2.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 587.92 (Adapted Stein & Brown method) Melting Pt (deg C): 253.67 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.91E-013 (Modified Grain method) Subcooled liquid VP: 1.52E-010 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 97.38 log Kow used: 2.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13.493 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.54E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.307E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.13 (KowWin est) Log Kaw used: -3.201 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.331 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5820 Biowin2 (Non-Linear Model) : 0.1269 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4308 (weeks-months) Biowin4 (Primary Survey Model) : 3.3461 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.3223 Biowin6 (MITI Non-Linear Model): 0.0005 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 2.03E-008 Pa (1.52E-010 mm Hg) Log Koa (Koawin est ): 5.331 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 148 Octanol/air (Koa) model: 5.26E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 4.21E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (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 = 0.939 (BCF = 8.684) log Kow used: 2.13 (estimated) Volatilization from Water: Henry LC: 1.54E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 72.79 hours (3.033 days) Half-Life from Model Lake : 950.5 hours (39.6 days) Removal In Wastewater Treatment: Total removal: 3.21 percent Total biodegradation: 0.10 percent Total sludge adsorption: 2.27 percent Total to Air: 0.85 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.838 1e+005 1000 Water 20.6 900 1000 Soil 78.4 1.8e+003 1000 Sediment 0.0938 8.1e+003 0 Persistence Time: 1.33e+003 hr
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