Methyltrichlorosilane CH3Cl3Si structure – Flashcards
Flashcard maker : John Smith
Contents
| Molecular Formula | CH3Cl3Si |
| Average mass | 149.479 Da |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 73.5±3.0 °C at 760 mmHg |
| Flash Point | -15.0±0.0 °C |
| Molar Refractivity | 29.9±0.3 cm3 |
| Polarizability | 11.9±0.5 10-24cm3 |
| Surface Tension | 21.1±3.0 dyne/cm |
| Molar Volume | 114.9±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: | 1.3±0.1 g/cm3 |
| Boiling Point: | 73.5±3.0 °C at 760 mmHg |
| Vapour Pressure: | 124.5±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 30.2±3.0 kJ/mol |
| Flash Point: | -15.0±0.0 °C |
| Index of Refraction: | 1.434 |
| Molar Refractivity: | 29.9±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 4.19 |
| ACD/LogD (pH 5.5): | 4.05 |
| ACD/BCF (pH 5.5): | 711.50 |
| ACD/KOC (pH 5.5): | 3829.90 |
| ACD/LogD (pH 7.4): | 4.05 |
| ACD/BCF (pH 7.4): | 711.50 |
| ACD/KOC (pH 7.4): | 3829.90 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 11.9±0.5 10-24cm3 |
| Surface Tension: | 21.1±3.0 dyne/cm |
| Molar Volume: | 114.9±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) = 2.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 58.27 (Adapted Stein & Brown method) Melting Pt (deg C): -77.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 157 (Mean VP of Antoine & Grain methods) MP (exp database): -90 deg C BP (exp database): 65.6 deg C VP (exp database): 1.67E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1473 log Kow used: 2.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 71.768 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.34E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.096E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.01 (KowWin est) Log Kaw used: -0.661 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.671 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6764 Biowin2 (Non-Linear Model) : 0.7081 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8688 (weeks ) Biowin4 (Primary Survey Model) : 3.6321 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2679 Biowin6 (MITI Non-Linear Model): 0.1455 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7565 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): 2.23E+004 Pa (167 mm Hg) Log Koa (Koawin est ): 2.671 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.35E-010 Octanol/air (Koa) model: 1.15E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.87E-009 Mackay model : 1.08E-008 Octanol/air (Koa) model: 9.21E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1496 E-12 cm3/molecule-sec Half-Life = 71.497 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.82E-009 (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 = 0.846 (BCF = 7.008) log Kow used: 2.01 (estimated) Volatilization from Water: Henry LC: 0.00534 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.382 hours Half-Life from Model Lake : 117.6 hours (4.9 days) Removal In Wastewater Treatment: Total removal: 68.11 percent Total biodegradation: 0.04 percent Total sludge adsorption: 1.03 percent Total to Air: 67.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 47.9 1.72e+003 1000 Water 39.9 360 1000 Soil 12.1 720 1000 Sediment 0.142 3.24e+003 0 Persistence Time: 160 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 58.27 (Adapted Stein & Brown method) Melting Pt (deg C): -77.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 157 (Mean VP of Antoine & Grain methods) MP (exp database): -90 deg C BP (exp database): 65.6 deg C VP (exp database): 1.67E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1473 log Kow used: 2.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 71.768 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.34E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.096E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.01 (KowWin est) Log Kaw used: -0.661 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.671 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6764 Biowin2 (Non-Linear Model) : 0.7081 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8688 (weeks ) Biowin4 (Primary Survey Model) : 3.6321 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2679 Biowin6 (MITI Non-Linear Model): 0.1455 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7565 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): 2.23E+004 Pa (167 mm Hg) Log Koa (Koawin est ): 2.671 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.35E-010 Octanol/air (Koa) model: 1.15E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.87E-009 Mackay model : 1.08E-008 Octanol/air (Koa) model: 9.21E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1496 E-12 cm3/molecule-sec Half-Life = 71.497 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.82E-009 (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 = 0.846 (BCF = 7.008) log Kow used: 2.01 (estimated) Volatilization from Water: Henry LC: 0.00534 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.382 hours Half-Life from Model Lake : 117.6 hours (4.9 days) Removal In Wastewater Treatment: Total removal: 68.11 percent Total biodegradation: 0.04 percent Total sludge adsorption: 1.03 percent Total to Air: 67.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 47.9 1.72e+003 1000 Water 39.9 360 1000 Soil 12.1 720 1000 Sediment 0.142 3.24e+003 0 Persistence Time: 160 hr Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 58.27 (Adapted Stein & Brown method) Melting Pt (deg C): -77.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 157 (Mean VP of Antoine & Grain methods) MP (exp database): -90 deg C BP (exp database): 65.6 deg C VP (exp database): 1.67E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1473 log Kow used: 2.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 71.768 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.34E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.096E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.01 (KowWin est) Log Kaw used: -0.661 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.671 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6764 Biowin2 (Non-Linear Model) : 0.7081 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8688 (weeks ) Biowin4 (Primary Survey Model) : 3.6321 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2679 Biowin6 (MITI Non-Linear Model): 0.1455 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7565 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): 2.23E+004 Pa (167 mm Hg) Log Koa (Koawin est ): 2.671 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.35E-010 Octanol/air (Koa) model: 1.15E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.87E-009 Mackay model : 1.08E-008 Octanol/air (Koa) model: 9.21E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1496 E-12 cm3/molecule-sec Half-Life = 71.497 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.82E-009 (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 = 0.846 (BCF = 7.008) log Kow used: 2.01 (estimated) Volatilization from Water: Henry LC: 0.00534 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.382 hours Half-Life from Model Lake : 117.6 hours (4.9 days) Removal In Wastewater Treatment: Total removal: 68.11 percent Total biodegradation: 0.04 percent Total sludge adsorption: 1.03 percent Total to Air: 67.04 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 47.9 1.72e+003 1000 Water 39.9 360 1000 Soil 12.1 720 1000 Sediment 0.142 3.24e+003 0 Persistence Time: 160 hr
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