octyltrichlorosilane C8H17Cl3Si structure – Flashcards
Flashcard maker : Larry Charles
Contents
| Molecular Formula | C8H17Cl3Si |
| Average mass | 247.665 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 234.7±0.0 °C at 760 mmHg |
| Flash Point | 96.7±0.0 °C |
| Molar Refractivity | 62.4±0.3 cm3 |
| Polarizability | 24.7±0.5 10-24cm3 |
| Surface Tension | 26.9±3.0 dyne/cm |
| Molar Volume | 230.5±3.0 cm3 |
- 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: | 1.1±0.1 g/cm3 |
| Boiling Point: | 234.7±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.1±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 45.2±3.0 kJ/mol |
| Flash Point: | 96.7±0.0 °C |
| Index of Refraction: | 1.454 |
| Molar Refractivity: | 62.4±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 7 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 7.91 |
| ACD/LogD (pH 5.5): | 7.51 |
| ACD/BCF (pH 5.5): | 299807.44 |
| ACD/KOC (pH 5.5): | 289666.22 |
| ACD/LogD (pH 7.4): | 7.51 |
| ACD/BCF (pH 7.4): | 299807.44 |
| ACD/KOC (pH 7.4): | 289666.22 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 24.7±0.5 10-24cm3 |
| Surface Tension: | 26.9±3.0 dyne/cm |
| Molar Volume: | 230.5±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) = 5.44 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 214.96 (Adapted Stein & Brown method) Melting Pt (deg C): 8.12 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0704 (Mean VP of Antoine & Grain methods) BP (exp database): 232 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.5455 log Kow used: 5.45 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.020705 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.88E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.206E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.44 (KowWin est) Log Kaw used: 0.200 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.240 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7381 Biowin2 (Non-Linear Model) : 0.7917 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9502 (weeks ) Biowin4 (Primary Survey Model) : 3.7595 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3216 Biowin6 (MITI Non-Linear Model): 0.1682 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6207 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): 8.88 Pa (0.0666 mm Hg) Log Koa (Koawin est ): 5.240 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.38E-007 Octanol/air (Koa) model: 4.27E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.22E-005 Mackay model : 2.7E-005 Octanol/air (Koa) model: 3.41E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 9.6450 E-12 cm3/molecule-sec Half-Life = 1.109 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 13.308 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.96E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3804 Log Koc: 3.580 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 = 2.493 (BCF = 310.9) log Kow used: 5.45 (estimated) Volatilization from Water: Henry LC: 0.0388 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.63 hours Half-Life from Model Lake : 149.7 hours (6.239 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.11 percent Total biodegradation: 0.34 percent Total sludge adsorption: 64.75 percent Total to Air: 31.01 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.34 26.6 1000 Water 10.4 360 1000 Soil 57.9 720 1000 Sediment 29.4 3.24e+003 0 Persistence Time: 564 hr
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