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CSID:10777, http://www.stayinfiji.com/Chemical-Structure.10777.html (accessed 18:46, Oct 31, 2021) CopyCopied




You are watching: 2-methyl-3-butanone

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Density: 0.8±0.1 g/cm3
Boiling Point: 78.3±3.0 °C at 760 mmHg
Vapour Pressure: 93.3±0.1 mmHg in ~ 25°C
Enthalpy that Vaporization: 31.9±3.0 kJ/mol
Flash Point: 6.1±0.0 °C
Index that Refraction: 1.381
Molar Refractivity: 25.2±0.3 cm3
#H shortcut acceptors: 1
#H link donors: 0
#Freely Rotating Bonds: 1
#Rule the 5 Violations: 0

ACD/LogP: 0.72
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.38
ACD/KOC (pH 5.5): 64.84
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 64.84
Polar surface ar Area: 17 Å2
Polarizability: 10.0±0.5 10-24cm3
Surface Tension: 21.4±3.0 dyne/cm
Molar Volume: 108.6±3.0 cm3

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

log Octanol-Water Partition Coef (SRC): log Kow (KOWWIN v1.67 estimate) = 0.67 log in Kow (Exper. Database match) = 0.84 Exper. Ref: Hansch,C et al. (1995) boiling Pt, melting Pt, Vapor pressure Estimations (MPBPWIN v1.42): boiling Pt (deg C): 80.27 (Adapted Stein & Brown method) melting Pt (deg C): -79.46 (Mean or weighted MP) VP(mm Hg,25 deg C): 54.5 (Mean VP of Antoine & grain methods) MP (exp database): -92 deg C BP (exp database): 94.3 deg C VP (exp database): 5.22E+01 mm Hg in ~ 25 deg C Water Solubility calculation from log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2.436e+004 log Kow used: 0.84 (expkow database) no-melting pt equation supplied Water sol (Exper. Database match) = 6.08e+004 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol estimate from Fragments: Wat solar (v1.01 est) = 56070 mg/L Wat solar (Exper. Database match) = 60800.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law constant (25 deg C) : Bond an approach : 8.73E-005 atm-m3/mole group Method: 1.23E-004 atm-m3/mole Exper Database: 9.73E-05 atm-m3/mole Henrys LC : 2.535E-004 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : log in Kow used: 0.84 (exp database) log Kaw used: -2.400 (exp database) log in Koa (KOAWIN v1.10 estimate): 3.240 log in Koa (experimental database): 3.040 Probability of rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7134 Biowin2 (Non-Linear Model) : 0.7913 experienced Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 2.9863 (weeks ) Biowin4 (Primary inspection Model) : 3.7012 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI direct Model) : 0.5242 Biowin6 (MITI Non-Linear Model): 0.6966 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic linear Model): 0.0396 all set Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1.01): structure incompatible with current estimation method! Sorption to aerosols (25 Dec C): Vapor pressure (liquid/subcooled): 6.96E+003 Pa (52.2 mm Hg) log Koa (Exp database): 3.040 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.31E-010 Octanol/air (Koa) model: 2.69E-010 portion sorbed to airborne particulates (phi): Junge-Pankow model : 1.56E-008 Mackay model : 3.45E-008 Octanol/air (Koa) model: 2.15E-008 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: overall OH Rate consistent = 2.6178 E-12 cm3/molecule-sec Half-Life = 4.086 job (12-hr day; 1.5E6 OH/cm3) Half-Life = 49.030 Hrs Ozone Reaction: No Ozone Reaction Estimation fraction sorbed to airborne particulates (phi): 2.5E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant come atmospheric oxidation floor Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.04 log in Koc: 0.781 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : price constants have the right to NOT be estimated for this structure! Bioaccumulation estimates from log Kow (BCFWIN v2.17): log BCF native regression-based an approach = 0.500 (BCF = 3.162) log in Kow used: 0.84 (expkow database) Volatilization from Water: Henry LC: 9.73E-005 atm-m3/mole (Henry experimental database) Half-Life from model River: 6.531 hrs Half-Life from model Lake : 149.1 hrs (6.211 days) remove In Wastewater Treatment: complete removal: 6.57 percent total biodegradation: 0.09 percent total sludge adsorption: 1.71 percent complete to Air: 4.77 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: massive Amount Half-Life Emissions (percent) (hr) (kg/hr) wait 11.6 89.4 1000 Water 44 360 1000 floor 44.3 720 1000 Sediment 0.0858 3.24e+003 0 Persistence Time: 265 hr

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