1,1,1,3,3,3-Hexamethyl-2-(trimethylsilyl)disilaphosphane C9H27?3 structure – Flashcards
Flashcard maker : Adam Howard
Contents
| Molecular Formula | C9H27?3 |
| Average mass | 250.541 Da |
| Density | |
| Boiling Point | 243.5±0.0 °C at 760 mmHg |
| Flash Point | 87.1±22.6 °C |
| Molar Refractivity | |
| Polarizability | |
| Surface Tension | |
| Molar Volume |
- 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: | |
| Boiling Point: | 243.5±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.1±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 46.1±3.0 kJ/mol |
| Flash Point: | 87.1±22.6 °C |
| Index of Refraction: | |
| Molar Refractivity: | |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 4.82 |
| ACD/LogD (pH 5.5): | 6.15 |
| ACD/BCF (pH 5.5): | 27992.27 |
| ACD/KOC (pH 5.5): | 53060.93 |
| ACD/LogD (pH 7.4): | 6.15 |
| ACD/BCF (pH 7.4): | 27992.27 |
| ACD/KOC (pH 7.4): | 53060.93 |
| Polar Surface Area: | 14 Å2 |
| Polarizability: | |
| Surface Tension: | |
| Molar Volume: |
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 5.56 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 156.18 (Adapted Stein & Brown method) Melting Pt (deg C): -58.84 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.01 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.4228 log Kow used: 5.56 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.9964e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.95E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.347E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.56 (KowWin est) Log Kaw used: -0.098 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.658 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6283 Biowin2 (Non-Linear Model) : 0.3661 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6455 (weeks-months) Biowin4 (Primary Survey Model) : 3.4863 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0295 Biowin6 (MITI Non-Linear Model): 0.0106 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): 365 Pa (2.74 mm Hg) Log Koa (Koawin est ): 5.658 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.21E-009 Octanol/air (Koa) model: 1.12E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.97E-007 Mackay model : 6.57E-007 Octanol/air (Koa) model: 8.93E-006 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): 4.77E-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 = 3.578 (BCF = 3785) log Kow used: 5.56 (estimated) Volatilization from Water: Henry LC: 0.0195 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.663 hours Half-Life from Model Lake : 150.9 hours (6.286 days) Removal In Wastewater Treatment: Total removal: 94.15 percent Total biodegradation: 0.48 percent Total sludge adsorption: 73.12 percent Total to Air: 20.56 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.5 191 1000 Water 5.07 900 1000 Soil 56.2 1.8e+003 1000 Sediment 36.3 8.1e+003 0 Persistence Time: 1.46e+003 hr
Click to predict properties on the Chemicalize site
