Perflenapent C5F12 structure – Flashcards
Flashcard maker : Noah Thomson
Contents
| Molecular Formula | C5F12 |
| Average mass | 288.034 Da |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 29.3±8.0 °C at 760 mmHg |
| Flash Point | -16.1±10.2 °C |
| Molar Refractivity | 27.0±0.3 cm3 |
| Polarizability | 10.7±0.5 10-24cm3 |
| Surface Tension | 10.8±3.0 dyne/cm |
| Molar Volume | 176.7±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.6±0.1 g/cm3 |
| Boiling Point: | 29.3±8.0 °C at 760 mmHg |
| Vapour Pressure: | 650.7±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 26.4±3.0 kJ/mol |
| Flash Point: | -16.1±10.2 °C |
| Index of Refraction: | 1.241 |
| Molar Refractivity: | 27.0±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 4.76 |
| ACD/LogD (pH 5.5): | 4.16 |
| ACD/BCF (pH 5.5): | 853.55 |
| ACD/KOC (pH 5.5): | 4362.89 |
| ACD/LogD (pH 7.4): | 4.16 |
| ACD/BCF (pH 7.4): | 853.55 |
| ACD/KOC (pH 7.4): | 4362.89 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 10.7±0.5 10-24cm3 |
| Surface Tension: | 10.8±3.0 dyne/cm |
| Molar Volume: | 176.7±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) = 5.05 Log Kow (Exper. database match) = 4.40 Exper. Ref: Pomona (1987) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 21.75 (Adapted Stein & Brown method) Melting Pt (deg C): -104.42 (Mean or Weighted MP) VP(mm Hg,25 deg C): 655 (Mean VP of Antoine & Grain methods) MP (exp database): -100 deg C BP (exp database): 29.2 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.456 log Kow used: 4.40 (expkow database) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.035849 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.50E+003 atm-m3/mole Group Method: 2.45E+003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.444E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.40 (exp database) Log Kaw used: 5.156 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): -0.756 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : -0.9822 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 0.9004 (recalcitrant) Biowin4 (Primary Survey Model) : 2.4231 (weeks-months) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.2666 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1666 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): 8.73E+004 Pa (655 mm Hg) Log Koa (Koawin est ): -0.756 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.44E-011 Octanol/air (Koa) model: 4.31E-014 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.24E-009 Mackay model : 2.75E-009 Octanol/air (Koa) model: 3.44E-012 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): 1.99E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2.216E+004 Log Koc: 4.345 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 = 2.688 (BCF = 487.5) log Kow used: 4.40 (expkow database) Volatilization from Water: Henry LC: 3.5E+003 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.732 hours Half-Life from Model Lake : 161.2 hours (6.717 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 100.00 percent Total biodegradation: 0.10 percent Total sludge adsorption: 29.97 percent Total to Air: 69.94 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 30.8 1e+005 1000 Water 31.5 4.32e+003 1000 Soil 0.235 8.64e+003 1000 Sediment 37.5 3.89e+004 0 Persistence Time: 289 hr
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