1,1-DIFLUOROETHYLENE C2H2F2 structure – Flashcards
Flashcard maker : Ben Powell
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Gravity:
- Experimental Solubility:
- Appearance:
- Stability:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
| Molecular Formula | C2H2F2 |
| Average mass | 64.034 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | -85.7±8.0 °C at 760 mmHg |
| Flash Point | -90.9±6.3 °C |
| Molar Refractivity | 11.2±0.3 cm3 |
| Polarizability | 4.4±0.5 10-24cm3 |
| Surface Tension | 8.8±3.0 dyne/cm |
| Molar Volume | 67.3±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: | -85.7±8.0 °C at 760 mmHg |
| Vapour Pressure: | 26177.0±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 17.1±3.0 kJ/mol |
| Flash Point: | -90.9±6.3 °C |
| Index of Refraction: | 1.265 |
| Molar Refractivity: | 11.2±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.25 |
| ACD/LogD (pH 5.5): | 1.21 |
| ACD/BCF (pH 5.5): | 4.87 |
| ACD/KOC (pH 5.5): | 108.14 |
| ACD/LogD (pH 7.4): | 1.21 |
| ACD/BCF (pH 7.4): | 4.87 |
| ACD/KOC (pH 7.4): | 108.14 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 4.4±0.5 10-24cm3 |
| Surface Tension: | 8.8±3.0 dyne/cm |
| Molar Volume: | 67.3±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) = 1.24 Log Kow (Exper. database match) = 1.24 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -40.36 (Adapted Stein & Brown method) Melting Pt (deg C): -156.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.87E+004 (Mean VP of Antoine & Grain methods) MP (exp database): -144 deg C BP (exp database): -85.7 deg C VP (exp database): 3.00E+04 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.195e+004 log Kow used: 1.24 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.26e+004 mg/L (25 deg C) Exper. Ref: HAM,GE (1981) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12599 mg/L Wat Sol (Exper. database match) = 12600.00 Exper. Ref: HAM,GE (1981) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.26E-001 atm-m3/mole Group Method: Incomplete Exper Database: 3.56E-01 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.358E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.24 (exp database) Log Kaw used: 1.163 (exp database) Log Koa (KOAWIN v1.10 estimate): 0.077 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7171 Biowin2 (Non-Linear Model) : 0.8908 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0577 (weeks ) Biowin4 (Primary Survey Model) : 3.7554 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5688 Biowin6 (MITI Non-Linear Model): 0.0007 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6890 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 4E+006 Pa (3E+004 mm Hg) Log Koa (Koawin est ): 0.077 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 7.5E-013 Octanol/air (Koa) model: 2.93E-013 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 2.71E-011 Mackay model : 6E-011 Octanol/air (Koa) model: 2.34E-011 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 2.2667 E-12 cm3/molecule-sec Half-Life = 4.719 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 56.624 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.028000 E-17 cm3/molecule-sec Half-Life = 40.929 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 4.35E-011 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 35.04 Log Koc: 1.545 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 = 0.255 (BCF = 1.798) log Kow used: 1.24 (expkow database) Volatilization from Water: Henry LC: 0.356 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.8179 hours (49.07 min) Half-Life from Model Lake : 76.02 hours (3.167 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.28 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.30 percent Total to Air: 98.96 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 44.9 113 1000 Water 54.3 360 1000 Soil 0.688 720 1000 Sediment 0.116 3.24e+003 0 Persistence Time: 113 hr
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