Bromoethyne C2HBr structure – Flashcards
Flashcard maker : Julia Rush
Molecular Formula | C2HBr |
Average mass | 104.933 Da |
Density | 1.8±0.1 g/cm3 |
Boiling Point | 40.4±23.0 °C at 760 mmHg |
Flash Point | -14.6±17.3 °C |
Molar Refractivity | 16.9±0.3 cm3 |
Polarizability | 6.7±0.5 10-24cm3 |
Surface Tension | 35.6±3.0 dyne/cm |
Molar Volume | 58.5±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
Density: | 1.8±0.1 g/cm3 |
Boiling Point: | 40.4±23.0 °C at 760 mmHg |
Vapour Pressure: | 435.8±0.1 mmHg at 25°C |
Enthalpy of Vaporization: | 27.3±3.0 kJ/mol |
Flash Point: | -14.6±17.3 °C |
Index of Refraction: | 1.489 |
Molar Refractivity: | 16.9±0.3 cm3 |
#H bond acceptors: | 0 |
#H bond donors: | 0 |
#Freely Rotating Bonds: | 0 |
#Rule of 5 Violations: | 0 |
ACD/LogP: | 2.00 |
ACD/LogD (pH 5.5): | 1.58 |
ACD/BCF (pH 5.5): | 9.34 |
ACD/KOC (pH 5.5): | 172.23 |
ACD/LogD (pH 7.4): | 1.58 |
ACD/BCF (pH 7.4): | 9.34 |
ACD/KOC (pH 7.4): | 172.23 |
Polar Surface Area: | 0 Å2 |
Polarizability: | 6.7±0.5 10-24cm3 |
Surface Tension: | 35.6±3.0 dyne/cm |
Molar Volume: | 58.5±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) = 0.90 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 61.25 (Adapted Stein & Brown method) Melting Pt (deg C): -65.99 (Mean or Weighted MP) VP(mm Hg,25 deg C): 200 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.942e+004 log Kow used: 0.90 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 13660 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Halides Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.66E-003 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.422E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.90 (KowWin est) Log Kaw used: -0.504 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.404 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6514 Biowin2 (Non-Linear Model) : 0.0510 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9962 (weeks ) Biowin4 (Primary Survey Model) : 3.7317 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4967 Biowin6 (MITI Non-Linear Model): 0.2574 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.1952 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): 2.63E+004 Pa (197 mm Hg) Log Koa (Koawin est ): 1.404 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.14E-010 Octanol/air (Koa) model: 6.22E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.13E-009 Mackay model : 9.14E-009 Octanol/air (Koa) model: 4.98E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 1.8200 E-12 cm3/molecule-sec Half-Life = 5.877 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 70.523 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.000420 E-17 cm3/molecule-sec Half-Life = 2728.568 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 6.63E-009 (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]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.90 (estimated) Volatilization from Water: Henry LC: 0.00766 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.124 hours Half-Life from Model Lake : 98.15 hours (4.09 days) Removal In Wastewater Treatment: Total removal: 75.17 percent Total biodegradation: 0.04 percent Total sludge adsorption: 0.65 percent Total to Air: 74.48 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 44.5 141 1000 Water 51.6 360 1000 Soil 3.78 720 1000 Sediment 0.101 3.24e+003 0 Persistence Time: 122 hr
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