1-Bromo-1-chloroethane C2H4BrCl structure – Flashcards
Flashcard maker : Maisie Clarke
Contents
| Molecular Formula | C2H4BrCl |
| Average mass | 143.410 Da |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 79.5±8.0 °C at 760 mmHg |
| Flash Point | -2.4±8.5 °C |
| Molar Refractivity | 23.9±0.3 cm3 |
| Polarizability | 9.5±0.5 10-24cm3 |
| Surface Tension | 28.4±3.0 dyne/cm |
| Molar Volume | 86.5±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: | 1.7±0.1 g/cm3 |
| Boiling Point: | 79.5±8.0 °C at 760 mmHg |
| Vapour Pressure: | 98.2±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 30.7±3.0 kJ/mol |
| Flash Point: | -2.4±8.5 °C |
| Index of Refraction: | 1.464 |
| Molar Refractivity: | 23.9±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.76 |
| ACD/LogD (pH 5.5): | 1.80 |
| ACD/BCF (pH 5.5): | 13.84 |
| ACD/KOC (pH 5.5): | 228.29 |
| ACD/LogD (pH 7.4): | 1.80 |
| ACD/BCF (pH 7.4): | 13.84 |
| ACD/KOC (pH 7.4): | 228.29 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 9.5±0.5 10-24cm3 |
| Surface Tension: | 28.4±3.0 dyne/cm |
| Molar Volume: | 86.5±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) = 1.85 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 90.61 (Adapted Stein & Brown method) Melting Pt (deg C): -73.45 (Mean or Weighted MP) VP(mm Hg,25 deg C): 76.9 (Mean VP of Antoine & Grain methods) BP (exp database): 83 deg C VP (exp database): 8.51E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2141 log Kow used: 1.85 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5011.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.97E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.778E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.85 (KowWin est) Log Kaw used: -0.790 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.640 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5217 Biowin2 (Non-Linear Model) : 0.0049 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7380 (weeks-months) Biowin4 (Primary Survey Model) : 3.5756 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.3331 Biowin6 (MITI Non-Linear Model): 0.0526 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.9351 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): 1.13E+004 Pa (85.1 mm Hg) Log Koa (Koawin est ): 2.640 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.64E-010 Octanol/air (Koa) model: 1.07E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.55E-009 Mackay model : 2.12E-008 Octanol/air (Koa) model: 8.57E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.2690 E-12 cm3/molecule-sec Half-Life = 39.766 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1.54E-008 (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]: Total Kb for pH > 8 at 25 deg C : 1.061E-005 L/mol-sec Kb Half-Life at pH 8: 2069.627 years Kb Half-Life at pH 7: 2.070E+004 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.723 (BCF = 5.28) log Kow used: 1.85 (estimated) Volatilization from Water: Henry LC: 0.00397 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.399 hours Half-Life from Model Lake : 115.7 hours (4.82 days) Removal In Wastewater Treatment: Total removal: 61.58 percent Total biodegradation: 0.05 percent Total sludge adsorption: 1.05 percent Total to Air: 60.49 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 43.3 954 1000 Water 45.3 900 1000 Soil 11.2 1.8e+003 1000 Sediment 0.149 8.1e+003 0 Persistence Time: 182 hr
Click to predict properties on the Chemicalize site
