Perfluoro(propyl vinyl ether) C5F10O structure – Flashcards
Flashcard maker : Patrick Turner
Contents
| Molecular Formula | C5F10O |
| Average mass | 266.037 Da |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 51.5±40.0 °C at 760 mmHg |
| Flash Point | -10.2±23.2 °C |
| Molar Refractivity | 28.2±0.3 cm3 |
| Polarizability | 11.2±0.5 10-24cm3 |
| Surface Tension | 12.5±3.0 dyne/cm |
| Molar Volume | 165.3±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: | 1.6±0.1 g/cm3 |
| Boiling Point: | 51.5±40.0 °C at 760 mmHg |
| Vapour Pressure: | 288.6±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 28.3±3.0 kJ/mol |
| Flash Point: | -10.2±23.2 °C |
| Index of Refraction: | 1.272 |
| Molar Refractivity: | 28.2±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 5.45 |
| ACD/LogD (pH 5.5): | 3.78 |
| ACD/BCF (pH 5.5): | 442.54 |
| ACD/KOC (pH 5.5): | 2726.32 |
| ACD/LogD (pH 7.4): | 3.78 |
| ACD/BCF (pH 7.4): | 442.54 |
| ACD/KOC (pH 7.4): | 2726.32 |
| Polar Surface Area: | 9 Å2 |
| Polarizability: | 11.2±0.5 10-24cm3 |
| Surface Tension: | 12.5±3.0 dyne/cm |
| Molar Volume: | 165.3±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) = 3.35 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 23.14 (Adapted Stein & Brown method) Melting Pt (deg C): -112.40 (Mean or Weighted MP) VP(mm Hg,25 deg C): 811 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 26.59 log Kow used: 3.35 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 61.789 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.74E+000 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.001E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.35 (KowWin est) Log Kaw used: 2.553 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 0.797 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.6147 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.6654 (recalcitrant) Biowin4 (Primary Survey Model) : 2.8729 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2312 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.0896 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): 1.08E+005 Pa (811 mm Hg) Log Koa (Koawin est ): 0.797 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.77E-011 Octanol/air (Koa) model: 1.54E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1E-009 Mackay model : 2.22E-009 Octanol/air (Koa) model: 1.23E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.3243 E-12 cm3/molecule-sec Half-Life = 8.077 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 96.919 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.056000 E-17 cm3/molecule-sec Half-Life = 20.464 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 1.61E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 975.7 Log Koc: 2.989 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 = 1.878 (BCF = 75.54) log Kow used: 3.35 (estimated) Volatilization from Water: Henry LC: 8.74 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.665 hours Half-Life from Model Lake : 154.9 hours (6.455 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.97 percent Total biodegradation: 0.03 percent Total sludge adsorption: 5.10 percent Total to Air: 94.84 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 37.7 139 1000 Water 57.6 4.32e+003 1000 Soil 0.557 8.64e+003 1000 Sediment 4.13 3.89e+004 0 Persistence Time: 158 hr
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