1-Fluoroheptane C7H15F structure – Flashcards
Flashcard maker : Maddison Bailey
Contents
| Molecular Formula | C7H15F |
| Average mass | 118.192 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 117.8±3.0 °C at 760 mmHg |
| Flash Point | 42.4±10.2 °C |
| Molar Refractivity | 34.6±0.3 cm3 |
| Polarizability | 13.7±0.5 10-24cm3 |
| Surface Tension | 21.0±3.0 dyne/cm |
| Molar Volume | 149.5±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: | 117.8±3.0 °C at 760 mmHg |
| Vapour Pressure: | 20.4±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 34.1±3.0 kJ/mol |
| Flash Point: | 42.4±10.2 °C |
| Index of Refraction: | 1.380 |
| Molar Refractivity: | 34.6±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 5 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.70 |
| ACD/LogD (pH 5.5): | 3.39 |
| ACD/BCF (pH 5.5): | 223.69 |
| ACD/KOC (pH 5.5): | 1672.95 |
| ACD/LogD (pH 7.4): | 3.39 |
| ACD/BCF (pH 7.4): | 223.69 |
| ACD/KOC (pH 7.4): | 1672.95 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 13.7±0.5 10-24cm3 |
| Surface Tension: | 21.0±3.0 dyne/cm |
| Molar Volume: | 149.5±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) = 3.72 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 98.52 (Adapted Stein & Brown method) Melting Pt (deg C): -80.03 (Mean or Weighted MP) VP(mm Hg,25 deg C): 20.5 (Mean VP of Antoine & Grain methods) MP (exp database): -73 deg C BP (exp database): 117.9 deg C VP (exp database): 1.84E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 67.83 log Kow used: 3.72 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 41.729 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.00E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 4.700E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.72 (KowWin est) Log Kaw used: 0.566 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.154 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7997 Biowin2 (Non-Linear Model) : 0.9598 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.2363 (weeks ) Biowin4 (Primary Survey Model) : 3.9463 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6748 Biowin6 (MITI Non-Linear Model): 0.0930 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5947 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+003 Pa (18.4 mm Hg) Log Koa (Koawin est ): 3.154 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.22E-009 Octanol/air (Koa) model: 3.5E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.42E-008 Mackay model : 9.78E-008 Octanol/air (Koa) model: 2.8E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 6.3640 E-12 cm3/molecule-sec Half-Life = 1.681 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 20.168 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.1E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 506.7 Log Koc: 2.705 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 = 2.164 (BCF = 146) log Kow used: 3.72 (estimated) Volatilization from Water: Henry LC: 0.09 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.116 hours Half-Life from Model Lake : 103.3 hours (4.306 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.43 percent Total biodegradation: 0.05 percent Total sludge adsorption: 10.76 percent Total to Air: 86.62 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 21 40.3 1000 Water 45 360 1000 Soil 30.8 720 1000 Sediment 3.15 3.24e+003 0 Persistence Time: 137 hr
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