1-Fluorobutane C4H9F structure – Flashcards
Flashcard maker : Chloe Barnes
Contents
| Molecular Formula | C4H9F |
| Average mass | 76.113 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 32.8±3.0 °C at 760 mmHg |
| Flash Point | -26.1±10.2 °C |
| Molar Refractivity | 20.7±0.3 cm3 |
| Polarizability | 8.2±0.5 10-24cm3 |
| Surface Tension | 16.3±3.0 dyne/cm |
| Molar Volume | 100.0±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: | 32.8±3.0 °C at 760 mmHg |
| Vapour Pressure: | 574.4±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 26.7±3.0 kJ/mol |
| Flash Point: | -26.1±10.2 °C |
| Index of Refraction: | 1.336 |
| Molar Refractivity: | 20.7±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.10 |
| ACD/LogD (pH 5.5): | 2.04 |
| ACD/BCF (pH 5.5): | 21.01 |
| ACD/KOC (pH 5.5): | 307.76 |
| ACD/LogD (pH 7.4): | 2.04 |
| ACD/BCF (pH 7.4): | 21.01 |
| ACD/KOC (pH 7.4): | 307.76 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 8.2±0.5 10-24cm3 |
| Surface Tension: | 16.3±3.0 dyne/cm |
| Molar Volume: | 100.0±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) = 2.25 Log Kow (Exper. database match) = 2.58 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 22.20 (Adapted Stein & Brown method) Melting Pt (deg C): -119.21 (Mean or Weighted MP) VP(mm Hg,25 deg C): 582 (Mean VP of Antoine & Grain methods) MP (exp database): -134 deg C BP (exp database): 32.5 deg C VP (exp database): 5.78E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 831.8 log Kow used: 2.58 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1097.4 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.85E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 7.007E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.58 (exp database) Log Kaw used: 0.197 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.383 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8197 Biowin2 (Non-Linear Model) : 0.9775 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3293 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0070 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6517 Biowin6 (MITI Non-Linear Model): 0.0869 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5168 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): 7.71E+004 Pa (578 mm Hg) Log Koa (Koawin est ): 2.383 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.89E-011 Octanol/air (Koa) model: 5.93E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.41E-009 Mackay model : 3.11E-009 Octanol/air (Koa) model: 4.74E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.1249 E-12 cm3/molecule-sec Half-Life = 5.034 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 60.405 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.26E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 80.77 Log Koc: 1.907 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.338E-017 L/mol-sec Kb Half-Life at pH 8: 6.580E+014 years Kb Half-Life at pH 7: 6.580E+015 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.287 (BCF = 19.35) log Kow used: 2.58 (expkow database) Volatilization from Water: Henry LC: 0.0385 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.9035 hours (54.21 min) Half-Life from Model Lake : 83.01 hours (3.459 days) Removal In Wastewater Treatment: Total removal: 93.76 percent Total biodegradation: 0.03 percent Total sludge adsorption: 1.26 percent Total to Air: 92.47 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 45.8 121 1000 Water 45.7 208 1000 Soil 8.25 416 1000 Sediment 0.302 1.87e+003 0 Persistence Time: 107 hr
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