4-Fluorostyrene C8H7F structure – Flashcards
Flashcard maker : Darren Farr
Contents
| Molecular Formula | C8H7F |
| Average mass | 122.140 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 145.3±9.0 °C at 760 mmHg |
| Flash Point | 26.7±0.0 °C |
| Molar Refractivity | 37.2±0.3 cm3 |
| Polarizability | 14.7±0.5 10-24cm3 |
| Surface Tension | 29.8±3.0 dyne/cm |
| Molar Volume | 119.6±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: | 1.0±0.1 g/cm3 |
| Boiling Point: | 145.3±9.0 °C at 760 mmHg |
| Vapour Pressure: | 6.2±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 36.7±3.0 kJ/mol |
| Flash Point: | 26.7±0.0 °C |
| Index of Refraction: | 1.534 |
| Molar Refractivity: | 37.2±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.71 |
| ACD/LogD (pH 5.5): | 3.11 |
| ACD/BCF (pH 5.5): | 135.04 |
| ACD/KOC (pH 5.5): | 1165.75 |
| ACD/LogD (pH 7.4): | 3.11 |
| ACD/BCF (pH 7.4): | 135.04 |
| ACD/KOC (pH 7.4): | 1165.75 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 14.7±0.5 10-24cm3 |
| Surface Tension: | 29.8±3.0 dyne/cm |
| Molar Volume: | 119.6±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) = 3.10 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 141.51 (Adapted Stein & Brown method) Melting Pt (deg C): -43.25 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.93 (Mean VP of Antoine & Grain methods) MP (exp database): -34.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 224 log Kow used: 3.10 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 162.97 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.22E-003 atm-m3/mole Group Method: 7.92E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.255E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.10 (KowWin est) Log Kaw used: -0.881 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.981 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.1206 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5223 (weeks-months) Biowin4 (Primary Survey Model) : 3.6850 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4176 Biowin6 (MITI Non-Linear Model): 0.0119 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2338 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): 727 Pa (5.45 mm Hg) Log Koa (Koawin est ): 3.981 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.13E-009 Octanol/air (Koa) model: 2.35E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.49E-007 Mackay model : 3.3E-007 Octanol/air (Koa) model: 1.88E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 28.5963 E-12 cm3/molecule-sec Half-Life = 0.374 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.488 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 2.100000 E-17 cm3/molecule-sec Half-Life = 0.546 Days (at 7E11 mol/cm3) Half-Life = 13.097 Hrs Fraction sorbed to airborne particulates (phi): 2.4E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 838.6 Log Koc: 2.924 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 = 1.683 (BCF = 48.25) log Kow used: 3.10 (estimated) Volatilization from Water: Henry LC: 0.00792 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.209 hours Half-Life from Model Lake : 105.9 hours (4.411 days) Removal In Wastewater Treatment: Total removal: 76.38 percent Total biodegradation: 0.05 percent Total sludge adsorption: 3.93 percent Total to Air: 72.40 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.89 5.33 1000 Water 39.7 900 1000 Soil 56.3 1.8e+003 1000 Sediment 1.13 8.1e+003 0 Persistence Time: 201 hr
Click to predict properties on the Chemicalize site
