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You are watching: 3-ethyl-1-pentene

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Density: 0.7±0.1 g/cm3
Boiling Point: 85.4±7.0 °C in ~ 760 mmHg
Vapour Pressure: 77.8±0.1 mmHg in ~ 25°C
Enthalpy the Vaporization: 31.2±0.8 kJ/mol
Flash Point: -6.5±3.3 °C
Index that Refraction: 1.404
Molar Refractivity: 34.2±0.3 cm3
#H shortcut acceptors: 0
#H shortcut donors: 0
#Freely Rotating Bonds: 3
#Rule the 5 Violations: 0

ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 264.49
ACD/KOC (pH 5.5): 1886.09
ACD/LogD (pH 7.4): 3.49
ACD/BCF (pH 7.4): 264.49
ACD/KOC (pH 7.4): 1886.09
Polar surface ar Area: 0 Å2
Polarizability: 13.5±0.5 10-24cm3
Surface Tension: 20.5±3.0 dyne/cm
Molar Volume: 139.6±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) = 3.57 boiling Pt, melting Pt, Vapor push Estimations (MPBPWIN v1.42): cook Pt (deg C): 79.57 (Adapted Stein & Brown method) melt Pt (deg C): -94.23 (Mean or weighted MP) VP(mm Hg,25 deg C): 82.1 (Mean VP that Antoine & grain methods) MP (exp database): -127.5 deg C BP (exp database): 84.1 deg C VP (exp database): 8.15E+01 mm Hg in ~ 27 deg C Water Solubility estimate from log in Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 30.77 log Kow used: 3.57 (estimated) no-melting pt equation provided Water Sol calculation from Fragments: Wat solar (v1.01 est) = 19.965 mg/L ECOSAR course Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law consistent (25 deg C) : Bond an approach : 4.76E-001 atm-m3/mole team Method: Incomplete Henrys LC : 3.447E-001 atm-m3/mole log Octanol-Air Partition Coefficient (25 deg C) : log in Kow used: 3.57 (KowWin est) log Kaw used: 1.289 (HenryWin est) log in Koa (KOAWIN v1.10 estimate): 2.281 log in Koa (experimental database): no one Probability of fast Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7008 Biowin2 (Non-Linear Model) : 0.8340 expert Survey Biodegradation Results: Biowin3 (Ultimate survey Model): 2.9822 (weeks ) Biowin4 (Primary inspection Model) : 3.7061 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI straight Model) : 0.4876 Biowin6 (MITI Non-Linear Model): 0.6398 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic straight Model): 0.3425 prepared Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): log in BioHC Half-Life (days) : 0.6999 BioHC Half-Life (days) : 5.0104 Sorption come aerosols (25 Dec C): Vapor press (liquid/subcooled): 1.09E+004 Pa (81.5 mm Hg) log in Koa (Koawin est ): 2.281 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.76E-010 Octanol/air (Koa) model: 4.69E-011 portion sorbed to airborne particulates (phi): Junge-Pankow design : 9.97E-009 Mackay version : 2.21E-008 Octanol/air (Koa) model: 3.75E-009 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: in its entirety OH Rate continuous = 31.8672 E-12 cm3/molecule-sec Half-Life = 0.336 days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.028 Hrs Ozone Reaction: overall Ozone Rate continuous = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs fraction sorbed come airborne particulates (phi): 1.6E-008 (Junge,Mackay) Note: the sorbed portion may it is in resistant to atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 252.8 log in Koc: 2.403 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : price constants deserve to NOT be estimated for this structure! Bioaccumulation approximates from log Kow (BCFWIN v2.17): log in BCF indigenous regression-based method = 2.048 (BCF = 111.8) log in Kow used: 3.57 (estimated) Volatilization indigenous Water: Henry LC: 0.476 atm-m3/mole (estimated by link SAR Method) Half-Life from model River: 1.012 hrs Half-Life from model Lake : 94.13 hrs (3.922 days) remove In Wastewater therapy (recommended best 95%): total removal: 99.49 percent full biodegradation: 0.04 percent total sludge adsorption: 7.92 percent complete to Air: 91.53 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: mass Amount Half-Life Emissions (percent) (hr) (kg/hr) waiting 8.27 5.96 1000 Water 78.9 360 1000 floor 8.82 720 1000 Sediment 4.04 3.24e+003 0 Persistence Time: 77.8 hr

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