Hexamethyldisilathiane C6H18SSi2 structure – Flashcards
Flashcard maker : Misty Porter
Contents
| Molecular Formula | C6H18SSi2 |
| Average mass | 178.443 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 159.4±9.0 °C at 760 mmHg |
| Flash Point | 50.2±18.7 °C |
| Molar Refractivity | 55.3±0.3 cm3 |
| Polarizability | 21.9±0.5 10-24cm3 |
| Surface Tension | 18.2±3.0 dyne/cm |
| Molar Volume | 213.0±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: | 159.4±9.0 °C at 760 mmHg |
| Vapour Pressure: | 3.3±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 38.0±3.0 kJ/mol |
| Flash Point: | 50.2±18.7 °C |
| Index of Refraction: | 1.432 |
| Molar Refractivity: | 55.3±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.53 |
| ACD/LogD (pH 5.5): | 4.93 |
| ACD/BCF (pH 5.5): | 3296.47 |
| ACD/KOC (pH 5.5): | 11476.63 |
| ACD/LogD (pH 7.4): | 4.93 |
| ACD/BCF (pH 7.4): | 3296.47 |
| ACD/KOC (pH 7.4): | 11476.63 |
| Polar Surface Area: | 25 Å2 |
| Polarizability: | 21.9±0.5 10-24cm3 |
| Surface Tension: | 18.2±3.0 dyne/cm |
| Molar Volume: | 213.0±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) = 3.71 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 130.84 (Adapted Stein & Brown method) Melting Pt (deg C): -60.43 (Mean or Weighted MP) VP(mm Hg,25 deg C): 9.64 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 38.1 log Kow used: 3.71 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.050562 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.65E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 5.941E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.71 (KowWin est) Log Kaw used: -0.566 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.276 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6626 Biowin2 (Non-Linear Model) : 0.6165 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8048 (weeks ) Biowin4 (Primary Survey Model) : 3.5903 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.1837 Biowin6 (MITI Non-Linear Model): 0.0752 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3587 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): 1.19E+003 Pa (8.92 mm Hg) Log Koa (Koawin est ): 4.276 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.52E-009 Octanol/air (Koa) model: 4.63E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.11E-008 Mackay model : 2.02E-007 Octanol/air (Koa) model: 3.71E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.8976 E-12 cm3/molecule-sec Half-Life = 11.916 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.46E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 393.3 Log Koc: 2.595 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 = 2.156 (BCF = 143.2) log Kow used: 3.71 (estimated) Volatilization from Water: Henry LC: 0.00665 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.481 hours Half-Life from Model Lake : 128.2 hours (5.34 days) Removal In Wastewater Treatment: Total removal: 75.34 percent Total biodegradation: 0.10 percent Total sludge adsorption: 12.77 percent Total to Air: 62.48 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 14.3 286 1000 Water 18.6 360 1000 Soil 65.8 720 1000 Sediment 1.27 3.24e+003 0 Persistence Time: 338 hr
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