methyl dichlorosilane CH4Cl2Si structure – Flashcards
Flashcard maker : Margaret Bruce
Contents
| Molecular Formula | CH4Cl2Si |
| Average mass | 115.034 Da |
| Density | |
| Boiling Point | 38.4±9.0 °C at 760 mmHg |
| Flash Point | -32.2±0.0 °C |
| Molar Refractivity | |
| Polarizability | |
| Surface Tension | |
| Molar Volume |
- 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: | |
| Boiling Point: | 38.4±9.0 °C at 760 mmHg |
| Vapour Pressure: | 468.2±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 27.1±3.0 kJ/mol |
| Flash Point: | -32.2±0.0 °C |
| Index of Refraction: | |
| Molar Refractivity: | |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.77 |
| ACD/LogD (pH 5.5): | 3.38 |
| ACD/BCF (pH 5.5): | 219.69 |
| ACD/KOC (pH 5.5): | 1651.51 |
| ACD/LogD (pH 7.4): | 3.38 |
| ACD/BCF (pH 7.4): | 219.69 |
| ACD/KOC (pH 7.4): | 1651.51 |
| Polar Surface Area: | 0 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) = 2.12 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 1.83 (Adapted Stein & Brown method) Melting Pt (deg C): -74.56 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.74E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1611 log Kow used: 2.12 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 19.907 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : Incomplete Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.140E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Can Not Estimate (can not calculate HenryLC) Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5089 Biowin2 (Non-Linear Model) : 0.4139 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7328 (weeks-months) Biowin4 (Primary Survey Model) : 3.5283 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4375 Biowin6 (MITI Non-Linear Model): 0.4022 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5019 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): 2.29E+005 Pa (1.72E+003 mm Hg) Log Koa (): not available Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.31E-011 Octanol/air (Koa) model: not available Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.72E-010 Mackay model : 1.05E-009 Octanol/air (Koa) model: not available 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): 7.6E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 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 = 0.934 (BCF = 8.59) log Kow used: 2.12 (estimated) Volatilization from Water: Henry LC: 0.0714 atm-m3/mole (calculated from VP/WS) Half-Life from Model River: 1.103 hours Half-Life from Model Lake : 102 hours (4.249 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.45 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.58 percent Total to Air: 97.84 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 51.8 1e+005 1000 Water 47.1 900 1000 Soil 0.886 1.8e+003 1000 Sediment 0.211 8.1e+003 0 Persistence Time: 166 hr
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