p-(chloromethyl)phenyltrimethoxysilane C10H15ClO3Si structure – Flashcards
Flashcard maker : Mike Bryan
Contents
| Molecular Formula | C10H15ClO3Si |
| Average mass | 246.763 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 279.8±15.0 °C at 760 mmHg |
| Flash Point | 103.0±12.5 °C |
| Molar Refractivity | 64.1±0.4 cm3 |
| Polarizability | 25.4±0.5 10-24cm3 |
| Surface Tension | 30.9±5.0 dyne/cm |
| Molar Volume | 221.5±5.0 cm3 |
- 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: | 1.1±0.1 g/cm3 |
| Boiling Point: | 279.8±15.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.6 mmHg at 25°C |
| Enthalpy of Vaporization: | 49.8±3.0 kJ/mol |
| Flash Point: | 103.0±12.5 °C |
| Index of Refraction: | 1.490 |
| Molar Refractivity: | 64.1±0.4 cm3 |
| #H bond acceptors: | 3 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 5 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.66 |
| ACD/LogD (pH 5.5): | 1.82 |
| ACD/BCF (pH 5.5): | 14.19 |
| ACD/KOC (pH 5.5): | 232.34 |
| ACD/LogD (pH 7.4): | 1.82 |
| ACD/BCF (pH 7.4): | 14.19 |
| ACD/KOC (pH 7.4): | 232.34 |
| Polar Surface Area: | 28 Å2 |
| Polarizability: | 25.4±0.5 10-24cm3 |
| Surface Tension: | 30.9±5.0 dyne/cm |
| Molar Volume: | 221.5±5.0 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) = 1.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 293.02 (Adapted Stein & Brown method) Melting Pt (deg C): 65.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00119 (Modified Grain method) Subcooled liquid VP: 0.00282 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1746 log Kow used: 1.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.7943e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Silanes (alkoxy) Benzyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.08E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.213E-007 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.35 (KowWin est) Log Kaw used: -4.070 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.420 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5187 Biowin2 (Non-Linear Model) : 0.0872 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4807 (weeks-months) Biowin4 (Primary Survey Model) : 3.3911 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0425 Biowin6 (MITI Non-Linear Model): 0.0080 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1937 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): 0.376 Pa (0.00282 mm Hg) Log Koa (Koawin est ): 5.420 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.98E-006 Octanol/air (Koa) model: 6.46E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000288 Mackay model : 0.000638 Octanol/air (Koa) model: 5.17E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 4.8547 E-12 cm3/molecule-sec Half-Life = 2.203 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 26.439 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.000463 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.897E+004 Log Koc: 4.462 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 = 0.337 (BCF = 2.171) log Kow used: 1.35 (estimated) Volatilization from Water: Henry LC: 2.08E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 443.8 hours (18.49 days) Half-Life from Model Lake : 4973 hours (207.2 days) Removal In Wastewater Treatment: Total removal: 2.05 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.84 percent Total to Air: 0.12 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.29 52.9 1000 Water 43.4 900 1000 Soil 54.3 1.8e+003 1000 Sediment 0.102 8.1e+003 0 Persistence Time: 664 hr
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