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You are watching: Draw the skeleton structure of 3 methyl 2 hexanone

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Density: 0.8±0.1 g/cm3
Boiling Point: 143.5±0.0 °C at 760 mmHg
Vapour Pressure: 5.3±0.2 mmHg in ~ 25°C
Enthalpy that Vaporization: 38.1±3.0 kJ/mol
Flash Point: 31.0±7.5 °C
Index of Refraction: 1.402
Molar Refractivity: 34.5±0.3 cm3
#H shortcut acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0

ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 15.20
ACD/KOC (pH 5.5): 244.07
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 15.20
ACD/KOC (pH 7.4): 244.07
Polar surface Area: 17 Å2
Polarizability: 13.7±0.5 10-24cm3
Surface Tension: 23.9±3.0 dyne/cm
Molar Volume: 141.6±3.0 cm3

Predicted data is created using the US environmental Protection Agency’s EPISuite™

log in Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = 1.66 boil Pt, melt Pt, Vapor pressure Estimations (MPBPWIN v1.42): cook Pt (deg C): 127.98 (Adapted Stein & Brown method) melt Pt (deg C): -54.26 (Mean or load MP) VP(mm Hg,25 deg C): 6.84 (Mean VP of Antoine & grain methods) BP (exp database): 143.5 deg C Water Solubility estimate from log Kow (WSKOW v1.41): Water Solubility in ~ 25 deg C (mg/L): 4057 log Kow used: 1.66 (estimated) no-melting pt equation provided Water Sol calculation from Fragments: Wat sol (v1.01 est) = 6268.1 mg/L ECOSAR class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law continuous (25 deg C) : Bond technique : 1.54E-004 atm-m3/mole group Method: 2.45E-004 atm-m3/mole Henrys LC : 2.533E-004 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : log in Kow used: 1.66 (KowWin est) log Kaw used: -2.201 (HenryWin est) log in Koa (KOAWIN v1.10 estimate): 3.861 log in Koa (experimental database): none Probability of rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7000 Biowin2 (Non-Linear Model) : 0.7179 professional Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 2.9243 (weeks ) Biowin4 (Primary inspection Model) : 3.6608 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI straight Model) : 0.5396 Biowin6 (MITI Non-Linear Model): 0.7068 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): 0.0916 all set Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01): structure incompatible with present estimation method! Sorption come aerosols (25 Dec C): Vapor push (liquid/subcooled): 840 Pa (6.3 mm Hg) log in Koa (Koawin est ): 3.861 Kp (particle/gas partition coef. (m3/ug)): Mackay design : 3.57E-009 Octanol/air (Koa) model: 1.78E-009 portion sorbed come airborne particulates (phi): Junge-Pankow design : 1.29E-007 Mackay model : 2.86E-007 Octanol/air (Koa) model: 1.43E-007 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate consistent = 8.2185 E-12 cm3/molecule-sec Half-Life = 1.301 work (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.617 Hrs Ozone Reaction: No Ozone Reaction Estimation portion sorbed come airborne particulates (phi): 2.07E-007 (Junge,Mackay) Note: the sorbed portion may it is in resistant to atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 21.53 log Koc: 1.333 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants can NOT be approximated for this structure! Bioaccumulation approximates from log in Kow (BCFWIN v2.17): log BCF indigenous regression-based an approach = 0.575 (BCF = 3.759) log Kow used: 1.66 (estimated) Volatilization native Water: Henry LC: 0.000245 atm-m3/mole (estimated by group SAR Method) Half-Life from version River: 3.644 hrs Half-Life from model Lake : 129.4 hours (5.39 days) removal In Wastewater Treatment: full removal: 12.24 percent complete biodegradation: 0.09 percent complete sludge adsorption: 1.77 percent full to Air: 10.38 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: massive Amount Half-Life Emissions (percent) (hr) (kg/hr) air 8.15 31.2 1000 Water 38.8 360 1000 floor 53 720 1000 Sediment 0.101 3.24e+003 0 Persistence Time: 234 hr

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