Chlorofluoromethane CH2ClF structure – Flashcards
Flashcard maker : Kate Moore
Contents
| Molecular Formula | CH2ClF |
| Average mass | 68.478 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | -10.8±8.0 °C at 760 mmHg |
| Flash Point | -89.8±5.3 °C |
| Molar Refractivity | 11.7±0.3 cm3 |
| Polarizability | 4.6±0.5 10-24cm3 |
| Surface Tension | 14.1±3.0 dyne/cm |
| Molar Volume | 61.9±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: | 1.1±0.1 g/cm3 |
| Boiling Point: | -10.8±8.0 °C at 760 mmHg |
| Vapour Pressure: | 2603.0±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 23.0±3.0 kJ/mol |
| Flash Point: | -89.8±5.3 °C |
| Index of Refraction: | 1.304 |
| Molar Refractivity: | 11.7±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.78 |
| ACD/LogD (pH 5.5): | 0.82 |
| ACD/BCF (pH 5.5): | 2.46 |
| ACD/KOC (pH 5.5): | 66.27 |
| ACD/LogD (pH 7.4): | 0.82 |
| ACD/BCF (pH 7.4): | 2.46 |
| ACD/KOC (pH 7.4): | 66.27 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 4.6±0.5 10-24cm3 |
| Surface Tension: | 14.1±3.0 dyne/cm |
| Molar Volume: | 61.9±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) = 1.03 Log Kow (Exper. database match) = 0.51 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 13.54 (Adapted Stein & Brown method) Melting Pt (deg C): -123.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.53E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -133 deg C BP (exp database): -9.1 deg C VP (exp database): 2.45E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 4.983e+004 log Kow used: 0.51 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.04e+004 mg/L (25 deg C) Exper. Ref: HINE,J & MOOKERJEE,PK (1975) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 12663 mg/L Wat Sol (Exper. database match) = 10400.00 Exper. Ref: HINE,J & MOOKERJEE,PK (1975) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 5.16E-002 atm-m3/mole Group Method: 6.58E-003 atm-m3/mole Exper Database: 6.59E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.374E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.51 (exp database) Log Kaw used: -0.570 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.080 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6036 Biowin2 (Non-Linear Model) : 0.5457 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8747 (weeks ) Biowin4 (Primary Survey Model) : 3.6483 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5763 Biowin6 (MITI Non-Linear Model): 0.0254 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.8474 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): 3.27E+005 Pa (2.45E+003 mm Hg) Log Koa (Koawin est ): 1.080 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.18E-012 Octanol/air (Koa) model: 2.95E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.32E-010 Mackay model : 7.35E-010 Octanol/air (Koa) model: 2.36E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0334 E-12 cm3/molecule-sec Half-Life = 320.599 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.33E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.74 Log Koc: 1.376 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.549E-007 L/mol-sec Kb Half-Life at pH 8: 8.617E+004 years Kb Half-Life at pH 7: 8.617E+005 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.51 (expkow database) Volatilization from Water: Henry LC: 0.00659 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.918 hours (55.08 min) Half-Life from Model Lake : 79.4 hours (3.308 days) Removal In Wastewater Treatment: Total removal: 72.32 percent Total biodegradation: 0.04 percent Total sludge adsorption: 0.68 percent Total to Air: 71.60 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 54 5.82e+003 1000 Water 42.7 360 1000 Soil 3.17 720 1000 Sediment 0.0805 3.24e+003 0 Persistence Time: 148 hr
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