2-Chloro-2-fluoropropane C3H6ClF structure – Flashcards
Flashcard maker : Aiden Boyd
| Molecular Formula | C3H6ClF |
| Average mass | 96.531 Da |
| Density | 1.0±0.1 g/cm3 |
| Boiling Point | 35.3±8.0 °C at 760 mmHg |
| Flash Point | -48.8±5.3 °C |
| Molar Refractivity | 20.9±0.3 cm3 |
| Polarizability | 8.3±0.5 10-24cm3 |
| Surface Tension | 17.6±3.0 dyne/cm |
| Molar Volume | 94.9±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Miscellaneous
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.0±0.1 g/cm3 |
| Boiling Point: | 35.3±8.0 °C at 760 mmHg |
| Vapour Pressure: | 525.4±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 26.9±3.0 kJ/mol |
| Flash Point: | -48.8±5.3 °C |
| Index of Refraction: | 1.359 |
| Molar Refractivity: | 20.9±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.48 |
| ACD/LogD (pH 5.5): | 1.96 |
| ACD/BCF (pH 5.5): | 18.15 |
| ACD/KOC (pH 5.5): | 277.15 |
| ACD/LogD (pH 7.4): | 1.96 |
| ACD/BCF (pH 7.4): | 18.15 |
| ACD/KOC (pH 7.4): | 277.15 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 8.3±0.5 10-24cm3 |
| Surface Tension: | 17.6±3.0 dyne/cm |
| Molar Volume: | 94.9±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) = 2.60 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 11.12 (Adapted Stein & Brown method) Melting Pt (deg C): -111.91 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.26E+003 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 716.1 log Kow used: 2.60 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1243.1 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.10E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.348E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.60 (KowWin est) Log Kaw used: 0.571 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.029 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.4063 Biowin2 (Non-Linear Model) : 0.1259 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.6005 (weeks-months) Biowin4 (Primary Survey Model) : 3.4544 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5119 Biowin6 (MITI Non-Linear Model): 0.0115 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3281 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): 1.67E+005 Pa (1.25E+003 mm Hg) Log Koa (Koawin est ): 2.029 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.8E-011 Octanol/air (Koa) model: 2.62E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 6.5E-010 Mackay model : 1.44E-009 Octanol/air (Koa) model: 2.1E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0680 E-12 cm3/molecule-sec Half-Life = 157.294 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.05E-009 (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 : 9.158E-010 L/mol-sec Kb Half-Life at pH 8: 2.398E+007 years Kb Half-Life at pH 7: 2.398E+008 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.304 (BCF = 20.15) log Kow used: 2.60 (estimated) Volatilization from Water: Henry LC: 0.091 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.009 hours Half-Life from Model Lake : 93.39 hours (3.891 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 97.25 percent Total biodegradation: 0.02 percent Total sludge adsorption: 1.23 percent Total to Air: 96.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 50.3 3.78e+003 1000 Water 46.6 900 1000 Soil 2.65 1.8e+003 1000 Sediment 0.46 8.1e+003 0 Persistence Time: 168 hr
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