Triethoxy(vinyl)silane C8H18O3Si structure – Flashcards
Flashcard maker : Rebecca Baker
Contents
| Molecular Formula | C8H18O3Si |
| Average mass | 190.312 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 160.5±0.0 °C at 760 mmHg |
| Flash Point | 34.4±0.0 °C |
| Molar Refractivity | 52.8±0.3 cm3 |
| Polarizability | 20.9±0.5 10-24cm3 |
| Surface Tension | 22.3±3.0 dyne/cm |
| Molar Volume | 210.5±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: | 0.9±0.1 g/cm3 |
| Boiling Point: | 160.5±0.0 °C at 760 mmHg |
| Vapour Pressure: | 3.1±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 38.1±3.0 kJ/mol |
| Flash Point: | 34.4±0.0 °C |
| Index of Refraction: | 1.416 |
| Molar Refractivity: | 52.8±0.3 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 7 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 4.72 |
| ACD/LogD (pH 5.5): | 2.43 |
| ACD/BCF (pH 5.5): | 41.38 |
| ACD/KOC (pH 5.5): | 499.95 |
| ACD/LogD (pH 7.4): | 2.43 |
| ACD/BCF (pH 7.4): | 41.38 |
| ACD/KOC (pH 7.4): | 499.95 |
| Polar Surface Area: | 28 Å2 |
| Polarizability: | 20.9±0.5 10-24cm3 |
| Surface Tension: | 22.3±3.0 dyne/cm |
| Molar Volume: | 210.5±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) = 1.16 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 185.99 (Adapted Stein & Brown method) Melting Pt (deg C): -12.75 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.721 (Mean VP of Antoine & Grain methods) BP (exp database): 160-161 @ 20 mm Hg deg C VP (exp database): 2.28E+00 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5040 log Kow used: 1.16 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.5927e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.04E-004 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.582E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.16 (KowWin est) Log Kaw used: -2.079 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.239 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6569 Biowin2 (Non-Linear Model) : 0.5760 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7786 (weeks ) Biowin4 (Primary Survey Model) : 3.5732 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3140 Biowin6 (MITI Non-Linear Model): 0.1771 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4548 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): 304 Pa (2.28 mm Hg) Log Koa (Koawin est ): 3.239 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.87E-009 Octanol/air (Koa) model: 4.26E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.56E-007 Mackay model : 7.89E-007 Octanol/air (Koa) model: 3.4E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 44.8202 E-12 cm3/molecule-sec Half-Life = 0.239 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.864 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.175000 E-17 cm3/molecule-sec Half-Life = 6.549 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 5.73E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4753 Log Koc: 3.677 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 = 0.190 (BCF = 1.55) log Kow used: 1.16 (estimated) Volatilization from Water: Henry LC: 0.000204 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.367 hours Half-Life from Model Lake : 174.2 hours (7.259 days) Removal In Wastewater Treatment: Total removal: 10.72 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.67 percent Total to Air: 8.96 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.38 5.53 1000 Water 48.9 360 1000 Soil 48.6 720 1000 Sediment 0.102 3.24e+003 0 Persistence Time: 195 hr
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