Hexafluoroethane C2F6 structure – Flashcards
Flashcard maker : Marguerite Castillo
Contents
| Molecular Formula | C2F6 |
| Average mass | 138.012 Da |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | -82.3±8.0 °C at 760 mmHg |
| Flash Point | -60.9±10.4 °C |
| Molar Refractivity | 12.2±0.3 cm3 |
| Polarizability | 4.8±0.5 10-24cm3 |
| Surface Tension | 8.1±3.0 dyne/cm |
| Molar Volume | 94.3±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: | 1.5±0.1 g/cm3 |
| Boiling Point: | -82.3±8.0 °C at 760 mmHg |
| Vapour Pressure: | 23718.2±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 16.1±0.0 kJ/mol |
| Flash Point: | -60.9±10.4 °C |
| Index of Refraction: | 1.203 |
| Molar Refractivity: | 12.2±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.00 |
| ACD/LogD (pH 5.5): | 2.20 |
| ACD/BCF (pH 5.5): | 27.77 |
| ACD/KOC (pH 5.5): | 375.77 |
| ACD/LogD (pH 7.4): | 2.20 |
| ACD/BCF (pH 7.4): | 27.77 |
| ACD/KOC (pH 7.4): | 375.77 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 4.8±0.5 10-24cm3 |
| Surface Tension: | 8.1±3.0 dyne/cm |
| Molar Volume: | 94.3±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) = 2.15 Log Kow (Exper. database match) = 2.00 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -77.38 (Adapted Stein & Brown method) Melting Pt (deg C): -155.66 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.51E+004 (Mean VP of Antoine & Grain methods) MP (exp database): -100.7 deg C BP (exp database): -78.1 deg C VP (exp database): 2.51E+04 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 302.8 log Kow used: 2.00 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 7.78 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 217.7 mg/L Wat Sol (Exper. database match) = 7.78 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.41E+001 atm-m3/mole Group Method: 2.45E+000 atm-m3/mole Exper Database: 2.03E+01 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.558E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.00 (exp database) Log Kaw used: 2.919 (exp database) Log Koa (KOAWIN v1.10 estimate): -0.919 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.3590 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.8683 (months ) Biowin4 (Primary Survey Model) : 3.0998 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4058 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8361 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): 3.35E+006 Pa (2.51E+004 mm Hg) Log Koa (Koawin est ): -0.919 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.96E-013 Octanol/air (Koa) model: 2.96E-014 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.24E-011 Mackay model : 7.17E-011 Octanol/air (Koa) model: 2.37E-012 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.2E-011 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 224.7 Log Koc: 2.352 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 = 0.840 (BCF = 6.918) log Kow used: 2.00 (expkow database) Volatilization from Water: Henry LC: 20.3 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.199 hours Half-Life from Model Lake : 111.6 hours (4.649 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.99 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.48 percent Total to Air: 99.49 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 50.8 1e+005 1000 Water 48.6 1.44e+003 1000 Soil 0.393 2.88e+003 1000 Sediment 0.192 1.3e+004 0 Persistence Time: 172 hr
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