Trifluoro(nitroso)methane CF3NO structure – Flashcards
Flashcard maker : Marie Florence
| Molecular Formula | CF3NO |
| Average mass | 99.012 Da |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | -84.0±35.0 °C at 760 mmHg |
| Flash Point | -118.3±15.6 °C |
| Molar Refractivity | 11.2±0.5 cm3 |
| Polarizability | 4.4±0.5 10-24cm3 |
| Surface Tension | 19.0±7.0 dyne/cm |
| Molar Volume | 64.1±7.0 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: | 1.5±0.1 g/cm3 |
| Boiling Point: | -84.0±35.0 °C at 760 mmHg |
| Vapour Pressure: | 24911.8±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 17.2±3.0 kJ/mol |
| Flash Point: | -118.3±15.6 °C |
| Index of Refraction: | 1.279 |
| Molar Refractivity: | 11.2±0.5 cm3 |
| #H bond acceptors: | 2 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.80 |
| ACD/LogD (pH 5.5): | 1.25 |
| ACD/BCF (pH 5.5): | 5.26 |
| ACD/KOC (pH 5.5): | 114.15 |
| ACD/LogD (pH 7.4): | 1.25 |
| ACD/BCF (pH 7.4): | 5.26 |
| ACD/KOC (pH 7.4): | 114.15 |
| Polar Surface Area: | 29 Å2 |
| Polarizability: | 4.4±0.5 10-24cm3 |
| Surface Tension: | 19.0±7.0 dyne/cm |
| Molar Volume: | 64.1±7.0 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) = 1.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -45.71 (Adapted Stein & Brown method) Melting Pt (deg C): -98.46 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.46E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.458e+004 log Kow used: 1.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1817 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Aliphatic Amines Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.77E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.791E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.06 (KowWin est) Log Kaw used: -1.140 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.200 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1800 Biowin2 (Non-Linear Model) : 0.0168 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4674 (weeks-months) Biowin4 (Primary Survey Model) : 3.4305 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4697 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): 7.85E+005 Pa (5.89E+003 mm Hg) Log Koa (Koawin est ): 2.200 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.82E-012 Octanol/air (Koa) model: 3.89E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.38E-010 Mackay model : 3.06E-010 Octanol/air (Koa) model: 3.11E-009 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): 2.22E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 72.59 Log Koc: 1.861 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 = 0.118 (BCF = 1.312) log Kow used: 1.06 (estimated) Volatilization from Water: Henry LC: 0.00177 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.345 hours Half-Life from Model Lake : 98.1 hours (4.088 days) Removal In Wastewater Treatment: Total removal: 42.72 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.16 percent Total to Air: 41.50 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 43.9 1e+005 1000 Water 46.2 900 1000 Soil 9.79 1.8e+003 1000 Sediment 0.0989 8.1e+003 0 Persistence Time: 191 hr
