Perfluorocyclobutane C4F8 structure – Flashcards
Flashcard maker : Paulina Ratliff
Contents
| Molecular Formula | C4F8 |
| Average mass | 200.030 Da |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | -6.0±35.0 °C at 760 mmHg |
| Flash Point | -41.9±17.7 °C |
| Molar Refractivity | 19.5±0.4 cm3 |
| Polarizability | 7.7±0.5 10-24cm3 |
| Surface Tension | 11.1±5.0 dyne/cm |
| Molar Volume | 120.0±5.0 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: | 1.7±0.1 g/cm3 |
| Boiling Point: | -6.0±35.0 °C at 760 mmHg |
| Vapour Pressure: | 2216.2±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 23.4±3.0 kJ/mol |
| Flash Point: | -41.9±17.7 °C |
| Index of Refraction: | 1.258 |
| Molar Refractivity: | 19.5±0.4 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.40 |
| ACD/LogD (pH 5.5): | 1.73 |
| ACD/BCF (pH 5.5): | 12.12 |
| ACD/KOC (pH 5.5): | 207.60 |
| ACD/LogD (pH 7.4): | 1.73 |
| ACD/BCF (pH 7.4): | 12.12 |
| ACD/KOC (pH 7.4): | 207.60 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 7.7±0.5 10-24cm3 |
| Surface Tension: | 11.1±5.0 dyne/cm |
| Molar Volume: | 120.0±5.0 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) = 2.29 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 7.97 (Adapted Stein & Brown method) Melting Pt (deg C): -72.65 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.16E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -40.1 deg C BP (exp database): -5.9 deg C VP (exp database): 2.35E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 87.16 log Kow used: 2.29 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 23.6 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.2016 mg/L Wat Sol (Exper. database match) = 23.60 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.43E+001 atm-m3/mole Group Method: 2.45E+002 atm-m3/mole Exper Database: 8.48E+00 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.295E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.29 (KowWin est) Log Kaw used: 2.540 (exp database) Log Koa (KOAWIN v1.10 estimate): -0.250 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.0834 Biowin2 (Non-Linear Model) : 0.0012 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9086 (months ) Biowin4 (Primary Survey Model) : 2.9454 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5265 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5008 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): 3.13E+005 Pa (2.35E+003 mm Hg) Log Koa (Koawin est ): -0.250 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.57E-012 Octanol/air (Koa) model: 1.38E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.46E-010 Mackay model : 7.66E-010 Octanol/air (Koa) model: 1.1E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0000 E-12 cm3/molecule-sec Half-Life = ------- Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.56E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1915 Log Koc: 3.282 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 = 1.066 (BCF = 11.64) log Kow used: 2.29 (estimated) Volatilization from Water: Henry LC: 8.48 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.443 hours Half-Life from Model Lake : 134.3 hours (5.597 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.97 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.70 percent Total to Air: 99.25 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 50.8 1e+005 1000 Water 48.6 1.44e+003 1000 Soil 0.402 2.88e+003 1000 Sediment 0.288 1.3e+004 0 Persistence Time: 172 hr
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