1-Fluoropentane C5H11F structure – Flashcards
Flashcard maker : Shelby Arnold
Contents
| Molecular Formula | C5H11F |
| Average mass | 90.139 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 63.4±3.0 °C at 760 mmHg |
| Flash Point | -22.8±0.0 °C |
| Molar Refractivity | 25.4±0.3 cm3 |
| Polarizability | 10.1±0.5 10-24cm3 |
| Surface Tension | 18.2±3.0 dyne/cm |
| Molar Volume | 116.5±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: | 0.8±0.1 g/cm3 |
| Boiling Point: | 63.4±3.0 °C at 760 mmHg |
| Vapour Pressure: | 184.2±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 29.3±3.0 kJ/mol |
| Flash Point: | -22.8±0.0 °C |
| Index of Refraction: | 1.355 |
| Molar Refractivity: | 25.4±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 3 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.63 |
| ACD/LogD (pH 5.5): | 2.46 |
| ACD/BCF (pH 5.5): | 43.37 |
| ACD/KOC (pH 5.5): | 517.06 |
| ACD/LogD (pH 7.4): | 2.46 |
| ACD/BCF (pH 7.4): | 43.37 |
| ACD/KOC (pH 7.4): | 517.06 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 10.1±0.5 10-24cm3 |
| Surface Tension: | 18.2±3.0 dyne/cm |
| Molar Volume: | 116.5±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) = 2.74 Log Kow (Exper. database match) = 2.33 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 48.55 (Adapted Stein & Brown method) Melting Pt (deg C): -105.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 189 (Mean VP of Antoine & Grain methods) MP (exp database): -120 deg C BP (exp database): 62.8 deg C VP (exp database): 1.84E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1273 log Kow used: 2.33 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 377.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.11E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.761E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.33 (exp database) Log Kaw used: 0.320 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.010 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8131 Biowin2 (Non-Linear Model) : 0.9727 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2983 (days-weeks ) Biowin4 (Primary Survey Model) : 3.9868 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6594 Biowin6 (MITI Non-Linear Model): 0.0889 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5427 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): 2.45E+004 Pa (184 mm Hg) Log Koa (Koawin est ): 2.010 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.22E-010 Octanol/air (Koa) model: 2.51E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.42E-009 Mackay model : 9.78E-009 Octanol/air (Koa) model: 2.01E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.5379 E-12 cm3/molecule-sec Half-Life = 3.023 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 36.279 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.1E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 149 Log Koc: 2.173 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.574E-017 L/mol-sec Kb Half-Life at pH 8: 8.534E+014 years Kb Half-Life at pH 7: 8.534E+015 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.094 (BCF = 12.42) log Kow used: 2.33 (expkow database) Volatilization from Water: Henry LC: 0.0511 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.9797 hours (58.78 min) Half-Life from Model Lake : 90.3 hours (3.762 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.21 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.84 percent Total to Air: 94.35 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 42.7 72.6 1000 Water 52.3 208 1000 Soil 4.73 416 1000 Sediment 0.245 1.87e+003 0 Persistence Time: 93.5 hr
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