Bis[(trifluoromethyl)sulfonyl]azanide C2F6NO4S2 structure – Flashcards
Flashcard maker : Lesly Nixon
| Molecular Formula | C2F6NO4S2 |
| Average mass | 280.147 Da |
| Density | |
| Boiling Point | 190.5±50.0 °C at 760 mmHg |
| Flash Point | 69.0±30.1 °C |
| Molar Refractivity | |
| Polarizability | |
| Surface Tension | |
| Molar Volume |
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | |
| Boiling Point: | 190.5±50.0 °C at 760 mmHg |
| Vapour Pressure: | 0.5±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 42.7±3.0 kJ/mol |
| Flash Point: | 69.0±30.1 °C |
| Index of Refraction: | |
| Molar Refractivity: | |
| #H bond acceptors: | 5 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.49 |
| ACD/LogD (pH 5.5): | 0.51 |
| ACD/BCF (pH 5.5): | 1.00 |
| ACD/KOC (pH 5.5): | 5.52 |
| ACD/LogD (pH 7.4): | 0.51 |
| ACD/BCF (pH 7.4): | 1.00 |
| ACD/KOC (pH 7.4): | 5.52 |
| Polar Surface Area: | 85 Å2 |
| Polarizability: | |
| Surface Tension: | |
| Molar Volume: |
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 2.07 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 286.95 (Adapted Stein & Brown method) Melting Pt (deg C): 90.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00091 (Modified Grain method) Subcooled liquid VP: 0.00389 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): 271.2 log Kow used: 2.07 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1e+006 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.02E-005 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.241E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.07 (KowWin est) Log Kaw used: -2.484 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.554 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.4271 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.5520 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8933 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0200 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): 0.519 Pa (0.00389 mm Hg) Log Koa (Koawin est ): 4.554 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.78E-006 Octanol/air (Koa) model: 8.79E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000209 Mackay model : 0.000463 Octanol/air (Koa) model: 7.03E-007 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): 0.000336 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 133 Log Koc: 2.124 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 = 0.891 (BCF = 7.785) log Kow used: 2.07 (estimated) Volatilization from Water: Henry LC: 8.02E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 13.95 hours Half-Life from Model Lake : 292.8 hours (12.2 days) Removal In Wastewater Treatment: Total removal: 6.24 percent Total biodegradation: 0.09 percent Total sludge adsorption: 2.15 percent Total to Air: 4.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 6.46 1e+005 1000 Water 26.8 4.32e+003 1000 Soil 66.7 8.64e+003 1000 Sediment 0.119 3.89e+004 0 Persistence Time: 990 hr
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