1,1,1,2-Tetrafluoroethane C2H2F4 structure – Flashcards
Flashcard maker : Jay Barber
Contents
| Molecular Formula | C2H2F4 |
| Average mass | 102.031 Da |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | -39.8±8.0 °C at 760 mmHg |
| Flash Point | -84.4±7.1 °C |
| Molar Refractivity | 11.9±0.3 cm3 |
| Polarizability | 4.7±0.5 10-24cm3 |
| Surface Tension | 9.1±3.0 dyne/cm |
| Molar Volume | 83.4±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: | 1.2±0.1 g/cm3 |
| Boiling Point: | -39.8±8.0 °C at 760 mmHg |
| Vapour Pressure: | 6631.9±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 20.7±3.0 kJ/mol |
| Flash Point: | -84.4±7.1 °C |
| Index of Refraction: | 1.225 |
| Molar Refractivity: | 11.9±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.77 |
| ACD/LogD (pH 5.5): | 1.12 |
| ACD/BCF (pH 5.5): | 4.15 |
| ACD/KOC (pH 5.5): | 96.39 |
| ACD/LogD (pH 7.4): | 1.12 |
| ACD/BCF (pH 7.4): | 4.15 |
| ACD/KOC (pH 7.4): | 96.39 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 4.7±0.5 10-24cm3 |
| Surface Tension: | 9.1±3.0 dyne/cm |
| Molar Volume: | 83.4±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) = 1.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -53.60 (Adapted Stein & Brown method) Melting Pt (deg C): -150.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.98E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -101 deg C BP (exp database): -26 deg C VP (exp database): 4.99E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 767.8 log Kow used: 1.68 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1089.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.53E+000 atm-m3/mole Group Method: Incomplete Exper Database: 5.00E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.329E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.68 (KowWin est) Log Kaw used: 0.311 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.369 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.1786 Biowin2 (Non-Linear Model) : 0.0161 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4607 (weeks-months) Biowin4 (Primary Survey Model) : 3.4261 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5275 Biowin6 (MITI Non-Linear Model): 0.0000 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8621 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): 6.65E+005 Pa (4.99E+003 mm Hg) Log Koa (Koawin est ): 1.369 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.51E-012 Octanol/air (Koa) model: 5.74E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.63E-010 Mackay model : 3.61E-010 Octanol/air (Koa) model: 4.59E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0062 E-12 cm3/molecule-sec Half-Life = 1715.884 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.62E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 96.63 Log Koc: 1.985 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.646E-007 L/mol-sec Kb Half-Life at pH 8: 8.299E+004 years Kb Half-Life at pH 7: 8.299E+005 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.594 (BCF = 3.923) log Kow used: 1.68 (estimated) Volatilization from Water: Henry LC: 0.05 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.043 hours Half-Life from Model Lake : 96.07 hours (4.003 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.10 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.44 percent Total to Air: 94.64 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 51.6 5.24e+004 1000 Water 47.1 900 1000 Soil 1.16 1.8e+003 1000 Sediment 0.134 8.1e+003 0 Persistence Time: 167 hr
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