f 142b C2H3ClF2 structure – Flashcards
Flashcard maker : Claire Forth
Contents
| Molecular Formula | C2H3ClF2 |
| Average mass | 100.495 Da |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | -9.3±8.0 °C at 760 mmHg |
| Flash Point | -64.4±11.9 °C |
| Molar Refractivity | 16.5±0.3 cm3 |
| Polarizability | 6.5±0.5 10-24cm3 |
| Surface Tension | 14.7±3.0 dyne/cm |
| Molar Volume | 83.9±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: | 1.2±0.1 g/cm3 |
| Boiling Point: | -9.3±8.0 °C at 760 mmHg |
| Vapour Pressure: | 2473.6±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 23.1±3.0 kJ/mol |
| Flash Point: | -64.4±11.9 °C |
| Index of Refraction: | 1.316 |
| Molar Refractivity: | 16.5±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.33 |
| ACD/LogD (pH 5.5): | 1.63 |
| ACD/BCF (pH 5.5): | 10.28 |
| ACD/KOC (pH 5.5): | 184.57 |
| ACD/LogD (pH 7.4): | 1.63 |
| ACD/BCF (pH 7.4): | 10.28 |
| ACD/KOC (pH 7.4): | 184.57 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 6.5±0.5 10-24cm3 |
| Surface Tension: | 14.7±3.0 dyne/cm |
| Molar Volume: | 83.9±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) = 2.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -13.75 (Adapted Stein & Brown method) Melting Pt (deg C): -124.52 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.58E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -130.8 deg C BP (exp database): -9.7 deg C VP (exp database): 2.54E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 372.9 log Kow used: 2.05 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 1400 mg/L (25 deg C) Exper. Ref: CHANG,WK & CRIDDLE,CS (1995) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1884.8 mg/L Wat Sol (Exper. database match) = 1400.00 Exper. Ref: CHANG,WK & CRIDDLE,CS (1995) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.36E-001 atm-m3/mole Group Method: Incomplete Exper Database: 5.88E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.695E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.05 (KowWin est) Log Kaw used: 0.381 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.669 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4044 Biowin2 (Non-Linear Model) : 0.1198 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5918 (weeks-months) Biowin4 (Primary Survey Model) : 3.4487 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5170 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4076 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): 3.39E+005 Pa (2.54E+003 mm Hg) Log Koa (Koawin est ): 1.669 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.86E-012 Octanol/air (Koa) model: 1.15E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.2E-010 Mackay model : 7.09E-010 Octanol/air (Koa) model: 9.16E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0042 E-12 cm3/molecule-sec Half-Life = 2536.999 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 5.14E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 48.64 Log Koc: 1.687 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.342E-009 L/mol-sec Kb Half-Life at pH 8: 9.380E+006 years Kb Half-Life at pH 7: 9.380E+007 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.881 (BCF = 7.595) log Kow used: 2.05 (estimated) Volatilization from Water: Henry LC: 0.0588 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.033 hours Half-Life from Model Lake : 95.33 hours (3.972 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 95.80 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.58 percent Total to Air: 95.20 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 51.4 8.39e+004 1000 Water 46.9 900 1000 Soil 1.57 1.8e+003 1000 Sediment 0.192 8.1e+003 0 Persistence Time: 167 hr
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