Dibromomethane CH2Br2 structure – Flashcards
Flashcard maker : Sara Edwards
Contents
| Molecular Formula | CH2Br2 |
| Average mass | 173.835 Da |
| Density | 2.4±0.1 g/cm3 |
| Boiling Point | 97.0±0.0 °C at 760 mmHg |
| Flash Point | -22.1±17.7 °C |
| Molar Refractivity | 22.1±0.3 cm3 |
| Polarizability | 8.8±0.5 10-24cm3 |
| Surface Tension | 37.1±3.0 dyne/cm |
| Molar Volume | 71.4±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: | 2.4±0.1 g/cm3 |
| Boiling Point: | 97.0±0.0 °C at 760 mmHg |
| Vapour Pressure: | 48.7±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 32.9±0.0 kJ/mol |
| Flash Point: | -22.1±17.7 °C |
| Index of Refraction: | 1.533 |
| Molar Refractivity: | 22.1±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.54 |
| ACD/LogD (pH 5.5): | 1.86 |
| ACD/BCF (pH 5.5): | 15.25 |
| ACD/KOC (pH 5.5): | 244.66 |
| ACD/LogD (pH 7.4): | 1.86 |
| ACD/BCF (pH 7.4): | 15.25 |
| ACD/KOC (pH 7.4): | 244.66 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 8.8±0.5 10-24cm3 |
| Surface Tension: | 37.1±3.0 dyne/cm |
| Molar Volume: | 71.4±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) = 1.52 Log Kow (Exper. database match) = 1.70 Exper. Ref: Martiska,A & Bekarek,V (1990) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 107.75 (Adapted Stein & Brown method) Melting Pt (deg C): -51.64 (Mean or Weighted MP) VP(mm Hg,25 deg C): 48.8 (Mean VP of Antoine & Grain methods) MP (exp database): -52.5 deg C BP (exp database): 97 deg C VP (exp database): 4.44E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2084 log Kow used: 1.70 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1.19e+004 mg/L (30 deg C) Exper. Ref: GROSS,PM & SAYLOR,JH (1931) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 6526.5 mg/L Wat Sol (Exper. database match) = 11900.00 Exper. Ref: GROSS,PM & SAYLOR,JH (1931) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 9.78E-004 atm-m3/mole Group Method: 8.68E-004 atm-m3/mole Exper Database: 8.22E-04 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.356E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.70 (exp database) Log Kaw used: -1.474 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.174 Log Koa (experimental database): 3.070 Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5724 Biowin2 (Non-Linear Model) : 0.0002 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8729 (weeks ) Biowin4 (Primary Survey Model) : 3.6677 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4379 Biowin6 (MITI Non-Linear Model): 0.0401 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.5802 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): 5.92E+003 Pa (44.4 mm Hg) Log Koa (Exp database): 3.070 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.07E-010 Octanol/air (Koa) model: 2.88E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.83E-008 Mackay model : 4.05E-008 Octanol/air (Koa) model: 2.31E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0.0732 E-12 cm3/molecule-sec Half-Life = 146.069 Days (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.94E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.74 Log Koc: 1.376 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 2.482E-008 L/mol-sec Kb Half-Life at pH 8: 8.849E+005 years Kb Half-Life at pH 7: 8.849E+006 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.609 (BCF = 4.064) log Kow used: 1.70 (expkow database) Volatilization from Water: Henry LC: 0.000822 atm-m3/mole (Henry experimental database) Half-Life from Model River: 2.285 hours Half-Life from Model Lake : 135.5 hours (5.645 days) Removal In Wastewater Treatment: Total removal: 27.32 percent Total biodegradation: 0.07 percent Total sludge adsorption: 1.54 percent Total to Air: 25.70 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 34.2 2.27e+003 1000 Water 36.2 360 1000 Soil 29.5 720 1000 Sediment 0.0973 3.24e+003 0 Persistence Time: 205 hr
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