sym-Tetrabromoethane C2H2Br4 structure – Flashcards
Flashcard maker : Ruth Jones
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Vapor Pressure:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Gravity:
- Experimental Refraction Index:
- Experimental Solubility:
- Appearance:
- Stability:
- Toxicity:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
| Molecular Formula | C2H2Br4 |
| Average mass | 345.653 Da |
| Density | 3.0±0.1 g/cm3 |
| Boiling Point | 243.5±0.0 °C at 760 mmHg |
| Flash Point | 97.0±13.2 °C |
| Molar Refractivity | 42.2±0.3 cm3 |
| Polarizability | 16.7±0.5 10-24cm3 |
| Surface Tension | 56.3±3.0 dyne/cm |
| Molar Volume | 115.0±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 3.0±0.1 g/cm3 |
| Boiling Point: | 243.5±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.1±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 46.1±3.0 kJ/mol |
| Flash Point: | 97.0±13.2 °C |
| Index of Refraction: | 1.654 |
| Molar Refractivity: | 42.2±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 4.12 |
| ACD/LogD (pH 5.5): | 3.59 |
| ACD/BCF (pH 5.5): | 315.62 |
| ACD/KOC (pH 5.5): | 2140.46 |
| ACD/LogD (pH 7.4): | 3.59 |
| ACD/BCF (pH 7.4): | 315.62 |
| ACD/KOC (pH 7.4): | 2140.46 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 16.7±0.5 10-24cm3 |
| Surface Tension: | 56.3±3.0 dyne/cm |
| Molar Volume: | 115.0±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) = 2.55 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 238.93 (Adapted Stein & Brown method) Melting Pt (deg C): 37.10 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0614 (Mean VP of Antoine & Grain methods) MP (exp database): 0 deg C BP (exp database): 243.5 deg C VP (exp database): 2.00E-02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 43.66 log Kow used: 2.55 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 678 mg/L (25 deg C) Exper. Ref: HORVATH,AL ET AL. (1999) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 285.43 mg/L Wat Sol (Exper. database match) = 678.00 Exper. Ref: HORVATH,AL ET AL. (1999) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.72E-005 atm-m3/mole Group Method: Incomplete Exper Database: 1.40E-05 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.396E-004 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.55 (KowWin est) Log Kaw used: -3.242 (exp database) Log Koa (KOAWIN v1.10 estimate): 5.792 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3983 Biowin2 (Non-Linear Model) : 0.0000 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.5511 (weeks-months) Biowin4 (Primary Survey Model) : 3.4906 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0305 Biowin6 (MITI Non-Linear Model): 0.0001 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.9407 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): 2.67 Pa (0.02 mm Hg) Log Koa (Koawin est ): 5.792 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.13E-006 Octanol/air (Koa) model: 1.52E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.06E-005 Mackay model : 9E-005 Octanol/air (Koa) model: 1.22E-005 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.1399 E-12 cm3/molecule-sec Half-Life = 76.439 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.53E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 106.8 Log Koc: 2.029 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 3.064E+003 L/mol-sec Kb Half-Life at pH 8: 3.770 minutes Kb Half-Life at pH 7: 37.697 minutes Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.264 (BCF = 18.36) log Kow used: 2.55 (estimated) Volatilization from Water: Henry LC: 1.4E-005 atm-m3/mole (Henry experimental database) Half-Life from Model River: 79.65 hours (3.319 days) Half-Life from Model Lake : 1025 hours (42.7 days) Removal In Wastewater Treatment: Total removal: 3.99 percent Total biodegradation: 0.10 percent Total sludge adsorption: 3.13 percent Total to Air: 0.76 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.62 1.83e+003 1000 Water 21.8 900 1000 Soil 74.4 1.8e+003 1000 Sediment 0.196 8.1e+003 0 Persistence Time: 954 hr
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