Dimethyl(vinyl)silanol C4H10OSi structure – Flashcards
Flashcard maker : Ben Powell
Molecular Formula | C4H10OSi |
Average mass | 102.207 Da |
Density | 0.8±0.1 g/cm3 |
Boiling Point | 106.8±9.0 °C at 760 mmHg |
Flash Point | 18.4±18.7 °C |
Molar Refractivity | 30.6±0.3 cm3 |
Polarizability | 12.1±0.5 10-24cm3 |
Surface Tension | 18.9±3.0 dyne/cm |
Molar Volume | 122.9±3.0 cm3 |
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 0.8±0.1 g/cm3 |
Boiling Point: | 106.8±9.0 °C at 760 mmHg |
Vapour Pressure: | 15.0±0.4 mmHg at 25°C |
Enthalpy of Vaporization: | 40.3±6.0 kJ/mol |
Flash Point: | 18.4±18.7 °C |
Index of Refraction: | 1.412 |
Molar Refractivity: | 30.6±0.3 cm3 |
#H bond acceptors: | 1 |
#H bond donors: | 1 |
#Freely Rotating Bonds: | 1 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 1.64 |
ACD/LogD (pH 5.5): | 1.41 |
ACD/BCF (pH 5.5): | 6.97 |
ACD/KOC (pH 5.5): | 139.66 |
ACD/LogD (pH 7.4): | 1.41 |
ACD/BCF (pH 7.4): | 6.97 |
ACD/KOC (pH 7.4): | 139.66 |
Polar Surface Area: | 20 Å2 |
Polarizability: | 12.1±0.5 10-24cm3 |
Surface Tension: | 18.9±3.0 dyne/cm |
Molar Volume: | 122.9±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) = 1.50 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 128.71 (Adapted Stein & Brown method) Melting Pt (deg C): -54.95 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.37 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.963e+004 log Kow used: 1.50 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9.4173e+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 : 5.08E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.994E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.50 (KowWin est) Log Kaw used: -2.683 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.183 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6989 Biowin2 (Non-Linear Model) : 0.8260 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9733 (weeks ) Biowin4 (Primary Survey Model) : 3.7003 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4275 Biowin6 (MITI Non-Linear Model): 0.4254 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4564 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): 532 Pa (3.99 mm Hg) Log Koa (Koawin est ): 4.183 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.64E-009 Octanol/air (Koa) model: 3.74E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.04E-007 Mackay model : 4.51E-007 Octanol/air (Koa) model: 2.99E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.0492 E-12 cm3/molecule-sec Half-Life = 0.356 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.271 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): 3.27E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 96.63 Log Koc: 1.985 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 = 0.453 (BCF = 2.836) log Kow used: 1.50 (estimated) Volatilization from Water: Henry LC: 5.08E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 12.68 hours Half-Life from Model Lake : 223.1 hours (9.297 days) Removal In Wastewater Treatment: Total removal: 4.58 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.84 percent Total to Air: 2.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 1.54 8.1 1000 Water 39 360 1000 Soil 59.3 720 1000 Sediment 0.0928 3.24e+003 0 Persistence Time: 314 hr
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