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Density: 1.5±0.1 g/cm3
Boiling Point: 137.0±0.0 °C in ~ 760 mmHg
Vapour Pressure: 7.2±0.2 mmHg in ~ 25°C
Enthalpy of Vaporization: 37.4±3.0 kJ/mol
Flash Point: 75.3±7.2 °C
Index that Refraction: 1.449
Molar Refractivity: 23.7±0.3 cm3
#H shortcut acceptors: 1
#H link donors: 0
#Freely Rotating Bonds: 1
#Rule the 5 Violations: 0

ACD/LogP: 0.54
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 47.39
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.54
ACD/KOC (pH 7.4): 47.39
Polar surface ar Area: 17 Å2
Polarizability: 9.4±0.5 10-24cm3
Surface Tension: 31.1±3.0 dyne/cm
Molar Volume: 88.4±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) = 0.11 boil Pt, melt Pt, Vapor pressure Estimations (MPBPWIN v1.42): cook Pt (deg C): 124.40 (Adapted Stein & Brown method) melting Pt (deg C): -40.44 (Mean or load MP) VP(mm Hg,25 deg C): 8.69 (Mean VP of Antoine & grain methods) MP (exp database): -36.5 deg C BP (exp database): 138 deg C VP (exp database): 9.00E+01 mm Hg at 20 deg C Water Solubility calculation from log in Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 6.963e+004 log Kow used: 0.11 (estimated) no-melting pt equation supplied Water Sol estimate from Fragments: Wat sol (v1.01 est) = 1.0361e+005 mg/L ECOSAR class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law consistent (25 deg C) : Bond method : 5.71E-006 atm-m3/mole group Method: 1.20E-005 atm-m3/mole Henrys LC : 2.249E-005 atm-m3/mole log in Octanol-Air Partition Coefficient (25 deg C) : log in Kow used: 0.11 (KowWin est) log in Kaw used: -3.632 (HenryWin est) log in Koa (KOAWIN v1.10 estimate): 3.742 log Koa (experimental database): none Probability of quick Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6430 Biowin2 (Non-Linear Model) : 0.0212 experienced Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 2.9029 (weeks ) Biowin4 (Primary inspection Model) : 3.6633 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI linear Model) : 0.5690 Biowin6 (MITI Non-Linear Model): 0.3313 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): 0.7497 prepared Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01): structure incompatible with present estimation method! Sorption come aerosols (25 Dec C): Vapor press (liquid/subcooled): 1.2E+004 Pa (90 mm Hg) log in Koa (Koawin est ): 3.742 Kp (particle/gas partition coef. (m3/ug)): Mackay design : 2.5E-010 Octanol/air (Koa) model: 1.36E-009 portion sorbed come airborne particulates (phi): Junge-Pankow version : 9.03E-009 Mackay version : 2E-008 Octanol/air (Koa) model: 1.08E-007 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: all at once OH Rate continuous = 0.2981 E-12 cm3/molecule-sec Half-Life = 35.876 job (12-hr day; 1.5E6 OH/cm3) Ozone Reaction: No Ozone Reaction Estimation fraction sorbed come airborne particulates (phi): 1.45E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant come atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.827 log in Koc: 0.583 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants can NOT be approximated for this structure! Bioaccumulation estimates from log Kow (BCFWIN v2.17): log BCF indigenous regression-based technique = 0.500 (BCF = 3.162) log Kow used: 0.11 (estimated) Volatilization indigenous Water: Henry LC: 1.2E-005 atm-m3/mole (estimated by group SAR Method) Half-Life from design River: 58.3 hrs (2.429 days) Half-Life from design Lake : 734.1 hours (30.59 days) removed In Wastewater Treatment: complete removal: 2.51 percent total biodegradation: 0.09 percent full sludge adsorption: 1.75 percent total to Air: 0.67 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: mass Amount Half-Life Emissions (percent) (hr) (kg/hr) air 9.78 861 1000 Water 44.3 360 1000 soil 45.9 720 1000 Sediment 0.0819 3.24e+003 0 Persistence Time: 358 hr

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