Bromomethane CH3Br structure – Flashcards
Flashcard maker : Marie Florence
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental Freezing Point:
- Experimental Gravity:
- 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 | CH3Br |
| Average mass | 94.938 Da |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 3.8±3.0 °C at 760 mmHg |
| Flash Point | -34.7±10.0 °C |
| Molar Refractivity | 14.4±0.3 cm3 |
| Polarizability | 5.7±0.5 10-24cm3 |
| Surface Tension | 20.6±3.0 dyne/cm |
| Molar Volume | 58.2±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: | 1.6±0.1 g/cm3 |
| Boiling Point: | 3.8±3.0 °C at 760 mmHg |
| Vapour Pressure: | 1589.5±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 23.9±0.0 kJ/mol |
| Flash Point: | -34.7±10.0 °C |
| Index of Refraction: | 1.410 |
| Molar Refractivity: | 14.4±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.15 |
| ACD/LogD (pH 5.5): | 1.27 |
| ACD/BCF (pH 5.5): | 5.45 |
| ACD/KOC (pH 5.5): | 117.23 |
| ACD/LogD (pH 7.4): | 1.27 |
| ACD/BCF (pH 7.4): | 5.45 |
| ACD/KOC (pH 7.4): | 117.23 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 5.7±0.5 10-24cm3 |
| Surface Tension: | 20.6±3.0 dyne/cm |
| Molar Volume: | 58.2±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) = 1.18 Log Kow (Exper. database match) = 1.19 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 26.06 (Adapted Stein & Brown method) Melting Pt (deg C): -105.39 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.59E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -93.7 deg C BP (exp database): 3.5 deg C VP (exp database): 1.62E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.164e+004 log Kow used: 1.19 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.52e+004 mg/L (25 deg C) Exper. Ref: HORVATH,AL (1982) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 21705 mg/L Wat Sol (Exper. database match) = 15200.00 Exper. Ref: HORVATH,AL (1982) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 8.49E-003 atm-m3/mole Group Method: 6.29E-003 atm-m3/mole Exper Database: 6.24E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.156E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.19 (exp database) Log Kaw used: -0.593 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.783 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6562 Biowin2 (Non-Linear Model) : 0.0583 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0183 (weeks ) Biowin4 (Primary Survey Model) : 3.7461 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5269 Biowin6 (MITI Non-Linear Model): 0.3204 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1156 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): 2.16E+005 Pa (1.62E+003 mm Hg) Log Koa (Koawin est ): 1.783 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.39E-011 Octanol/air (Koa) model: 1.49E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 5.02E-010 Mackay model : 1.11E-009 Octanol/air (Koa) model: 1.19E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0381 E-12 cm3/molecule-sec Half-Life = 280.882 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 8.06E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 14.3 Log Koc: 1.155 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 1.795E-004 L/mol-sec Kb Half-Life at pH 8: 122.375 years Kb Half-Life at pH 7: 1223.748 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.216 (BCF = 1.646) log Kow used: 1.19 (expkow database) Volatilization from Water: Henry LC: 0.00624 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.086 hours Half-Life from Model Lake : 93.55 hours (3.898 days) Removal In Wastewater Treatment: Total removal: 71.25 percent Total biodegradation: 0.04 percent Total sludge adsorption: 0.73 percent Total to Air: 70.48 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 53.3 6.39e+003 1000 Water 42.3 360 1000 Soil 4.29 720 1000 Sediment 0.0887 3.24e+003 0 Persistence Time: 150 hr
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