1,5-Dibromopentane C5H10Br2 structure – Flashcards
Flashcard maker : Brandon Ruffin
Contents
| Molecular Formula | C5H10Br2 |
| Average mass | 229.941 Da |
| Density | 1.7±0.1 g/cm3 |
| Boiling Point | 224.5±8.0 °C at 760 mmHg |
| Flash Point | 94.7±17.7 °C |
| Molar Refractivity | 40.7±0.3 cm3 |
| Polarizability | 16.1±0.5 10-24cm3 |
| Surface Tension | 35.5±3.0 dyne/cm |
| Molar Volume | 137.4±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: | 1.7±0.1 g/cm3 |
| Boiling Point: | 224.5±8.0 °C at 760 mmHg |
| Vapour Pressure: | 0.1±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 44.2±3.0 kJ/mol |
| Flash Point: | 94.7±17.7 °C |
| Index of Refraction: | 1.504 |
| Molar Refractivity: | 40.7±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 4 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.13 |
| ACD/LogD (pH 5.5): | 3.02 |
| ACD/BCF (pH 5.5): | 116.79 |
| ACD/KOC (pH 5.5): | 1050.62 |
| ACD/LogD (pH 7.4): | 3.02 |
| ACD/BCF (pH 7.4): | 116.79 |
| ACD/KOC (pH 7.4): | 1050.62 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 16.1±0.5 10-24cm3 |
| Surface Tension: | 35.5±3.0 dyne/cm |
| Molar Volume: | 137.4±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) = 3.48 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 195.45 (Adapted Stein & Brown method) Melting Pt (deg C): -3.50 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.176 (Mean VP of Antoine & Grain methods) MP (exp database): -39.5 deg C BP (exp database): 222.3 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 32.24 log Kow used: 3.48 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 61.389 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.04E-003 atm-m3/mole Group Method: 4.35E-004 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.652E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.48 (KowWin est) Log Kaw used: -0.906 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.386 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5457 Biowin2 (Non-Linear Model) : 0.0001 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7489 (weeks-months) Biowin4 (Primary Survey Model) : 3.5867 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4686 Biowin6 (MITI Non-Linear Model): 0.0441 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 1.6842 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): 22 Pa (0.165 mm Hg) Log Koa (Koawin est ): 4.386 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.36E-007 Octanol/air (Koa) model: 5.97E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.93E-006 Mackay model : 1.09E-005 Octanol/air (Koa) model: 4.78E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 3.1133 E-12 cm3/molecule-sec Half-Life = 3.436 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 41.227 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.92E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 274.7 Log Koc: 2.439 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Total Kb for pH > 8 at 25 deg C : 5.710E-009 L/mol-sec Kb Half-Life at pH 8: 3.847E+006 years Kb Half-Life at pH 7: 3.847E+007 years Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 1.983 (BCF = 96.07) log Kow used: 3.48 (estimated) Volatilization from Water: Henry LC: 0.000435 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 3.588 hours Half-Life from Model Lake : 166.3 hours (6.929 days) Removal In Wastewater Treatment: Total removal: 26.07 percent Total biodegradation: 0.16 percent Total sludge adsorption: 11.47 percent Total to Air: 14.44 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 3.33 82.5 1000 Water 11.7 900 1000 Soil 84.2 1.8e+003 1000 Sediment 0.808 8.1e+003 0 Persistence Time: 874 hr
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