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You are watching: 2-methyl-3-pentanol

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Density: 0.8±0.1 g/cm3
Boiling Point: 126.5±0.0 °C at 760 mmHg
Vapour Pressure: 5.4±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.5±6.0 kJ/mol
Flash Point: 46.1±0.0 °C
Index of Refraction: 1.412
Molar Refractivity: 31.3±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0

ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 9.82
ACD/KOC (pH 5.5): 178.61
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.82
ACD/KOC (pH 7.4): 178.61
Polar Surconfront Area: 20 Å2
Polarizability: 12.4±0.5 10-24cm3
Surface Tension: 25.4±3.0 dyne/cm
Molar Volume: 125.8±3.0 cm3

Predicted data is produced making use of the US Environpsychological Protection Agency’s EPISuite™

Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 1.68 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 124.88 (Adapted Stein & Brvery own method) Melting Pt (deg C): -62.85 (Typical or Weighted MP) VP(mm Hg,25 deg C): 4.93 (Typical VP of Antoine & Grain methods) BP (exp database): 126.5 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.38e+004 log Kow used: 1.68 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 2.01e+004 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 20042 mg/L Wat Sol (Exper. database match) = 20100.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) : Bond Method : 1.76E-005 atm-m3/mole Group Method: 3.88E-005 atm-m3/mole Henrys LC : 4.803E-005 atm-m3/mole Log Octanol-Air Partition Coeffective (25 deg C) : Log Kow used: 1.68 (KowSuccess est) Log Kaw used: -3.143 (HenryVictory est) Log Koa (KOAWIN v1.10 estimate): 4.823 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8576 Biowin2 (Non-Linear Model) : 0.9356 Expert Survey Biodestruction Results: Biowin3 (Ultimate Survey Model): 3.1333 (weeks ) Biowin4 (Key Survey Model) : 3.8298 (days ) MITI Biodestruction Probability: Biowin5 (MITI Liclose to Model) : 0.5186 Biowin6 (MITI Non-Liclose to Model): 0.7044 Anaerobic Biodeterioration Probability: Biowin7 (Anaerobic Linear Model): 0.4244 Ready Biodegradability Prediction: YESHydrocarbon Biodeterioration (BioHCwin v1.01): Structure incompatible through current estimation method! Sorption to aerosols (25 Dec C): Vapor push (liquid/subcooled): 600 Pa (4.5 mm Hg) Log Koa (Koawin est ): 4.823 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5E-009 Octanol/air (Koa) model: 1.63E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow version : 1.81E-007 Mackay version : 4E-007 Octanol/air (Koa) model: 1.31E-006 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 14.4495 E-12 cm3/molecule-sec Half-Life = 0.740 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 8.883 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.9E-007 (Junge,Mackay) Note: the sorbed fraction might be resistant to atmospheric oxidation Soil Adsorption Coreliable (PCKOCWIN v1.66): Koc : 6.245 Log Koc: 0.795 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : Rate constants have the right to NOT be approximated for this structure! Biobuild-up Quotes from Log Kow (BCFWIN v2.17): Log BCF from regression-based technique = 0.591 (BCF = 3.896) log Kow used: 1.68 (estimated) Volatilization from Water: Henry LC: 1.76E-005 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 34.66 hours (1.444 days) Half-Life from Model Lake : 462.8 hrs (19.29 days) Removal In Wastewater Treatment: Total removal: 2.99 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.93 percent Total to Air: 0.97 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Egoals (percent) (hr) (kg/hr) Air 2.12 17.8 1000 Water 35.7 360 1000 Soil 62.1 720 1000 Sediment 0.0947 3.24e+003 0 Persistence Time: 373 hr

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