1,2-diiodoperfluoroethane C2F4I2 structure – Flashcards
Flashcard maker : Charles Clay
Contents
| Molecular Formula | C2F4I2 |
| Average mass | 353.824 Da |
| Density | 2.9±0.1 g/cm3 |
| Boiling Point | 111.0±8.0 °C at 760 mmHg |
| Flash Point | 36.0±5.6 °C |
| Molar Refractivity | 37.8±0.3 cm3 |
| Polarizability | 15.0±0.5 10-24cm3 |
| Surface Tension | 32.0±3.0 dyne/cm |
| Molar Volume | 121.1±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: | 2.9±0.1 g/cm3 |
| Boiling Point: | 111.0±8.0 °C at 760 mmHg |
| Vapour Pressure: | 27.3±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 33.5±3.0 kJ/mol |
| Flash Point: | 36.0±5.6 °C |
| Index of Refraction: | 1.537 |
| Molar Refractivity: | 37.8±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 4.37 |
| ACD/LogD (pH 5.5): | 3.49 |
| ACD/BCF (pH 5.5): | 263.37 |
| ACD/KOC (pH 5.5): | 1880.37 |
| ACD/LogD (pH 7.4): | 3.49 |
| ACD/BCF (pH 7.4): | 263.37 |
| ACD/KOC (pH 7.4): | 1880.37 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 15.0±0.5 10-24cm3 |
| Surface Tension: | 32.0±3.0 dyne/cm |
| Molar Volume: | 121.1±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) = 3.79 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 160.28 (Adapted Stein & Brown method) Melting Pt (deg C): -28.81 (Mean or Weighted MP) VP(mm Hg,25 deg C): 26.3 (Mean VP of Antoine & Grain methods) BP (exp database): 112 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.6165 log Kow used: 3.79 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 8.0921 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.78E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.986E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.79 (KowWin est) Log Kaw used: 0.443 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 3.347 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.2112 Biowin2 (Non-Linear Model) : 0.0042 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1.9930 (months ) Biowin4 (Primary Survey Model) : 3.0304 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.1357 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.1676 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): 3.31E+003 Pa (24.8 mm Hg) Log Koa (Koawin est ): 3.347 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.07E-010 Octanol/air (Koa) model: 5.46E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.28E-008 Mackay model : 7.26E-008 Octanol/air (Koa) model: 4.37E-008 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): 5.27E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 224.7 Log Koc: 2.352 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 = 2.219 (BCF = 165.4) log Kow used: 3.79 (estimated) Volatilization from Water: Henry LC: 0.0678 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.936 hours Half-Life from Model Lake : 178.8 hours (7.452 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.67 percent Total biodegradation: 0.06 percent Total sludge adsorption: 12.32 percent Total to Air: 84.29 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 33.6 1e+005 1000 Water 32.9 1.44e+003 1000 Soil 27.7 2.88e+003 1000 Sediment 5.87 1.3e+004 0 Persistence Time: 255 hr
Click to predict properties on the Chemicalize site
