Acetyl fluoride C2H3FO structure – Flashcards
Flashcard maker : William Jordan
Contents
| Molecular Formula | C2H3FO |
| Average mass | 62.043 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 20.8±0.0 °C at 760 mmHg |
| Flash Point | -14.5±12.9 °C |
| Molar Refractivity | 11.5±0.3 cm3 |
| Polarizability | 4.6±0.5 10-24cm3 |
| Surface Tension | 15.1±3.0 dyne/cm |
| Molar Volume | 64.1±3.0 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: | 1.0±0.1 g/cm3 |
| Boiling Point: | 20.8±0.0 °C at 760 mmHg |
| Vapour Pressure: | 888.7±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 26.8±3.0 kJ/mol |
| Flash Point: | -14.5±12.9 °C |
| Index of Refraction: | 1.287 |
| Molar Refractivity: | 11.5±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.19 |
| ACD/LogD (pH 5.5): | 0.31 |
| ACD/BCF (pH 5.5): | 1.02 |
| ACD/KOC (pH 5.5): | 35.32 |
| ACD/LogD (pH 7.4): | 0.31 |
| ACD/BCF (pH 7.4): | 1.02 |
| ACD/KOC (pH 7.4): | 35.32 |
| Polar Surface Area: | 17 Å2 |
| Polarizability: | 4.6±0.5 10-24cm3 |
| Surface Tension: | 15.1±3.0 dyne/cm |
| Molar Volume: | 64.1±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) = -0.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 20.95 (Adapted Stein & Brown method) Melting Pt (deg C): -105.88 (Mean or Weighted MP) VP(mm Hg,25 deg C): 881 (Mean VP of Antoine & Grain methods) MP (exp database): -84 deg C BP (exp database): 20.8 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.423e+005 log Kow used: -0.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.1621e+005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Acid Chloride/Halide Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.56E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 9.659E-005 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -0.79 (KowWin est) Log Kaw used: -1.195 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.405 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7180 Biowin2 (Non-Linear Model) : 0.8936 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0621 (weeks ) Biowin4 (Primary Survey Model) : 3.7582 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5453 Biowin6 (MITI Non-Linear Model): 0.0379 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7565 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.17E+005 Pa (880 mm Hg) Log Koa (Koawin est ): 0.405 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.56E-011 Octanol/air (Koa) model: 6.24E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.24E-010 Mackay model : 2.05E-009 Octanol/air (Koa) model: 4.99E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0091 E-12 cm3/molecule-sec Half-Life = 1173.835 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.48E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.211 Log Koc: 0.345 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 = 0.500 (BCF = 3.162) log Kow used: -0.79 (estimated) Volatilization from Water: Henry LC: 0.00156 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.099 hours Half-Life from Model Lake : 78.04 hours (3.252 days) Removal In Wastewater Treatment: Total removal: 39.88 percent Total biodegradation: 0.06 percent Total sludge adsorption: 1.17 percent Total to Air: 38.65 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 48.2 2.82e+004 1000 Water 42.5 360 1000 Soil 9.31 720 1000 Sediment 0.0778 3.24e+003 0 Persistence Time: 162 hr
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