Cite this record

CSID:455354, (accessed 06:49, Sep 24, 2021) CopyCopied

You are watching: Which is a structural isomer of 3-isopropyl-5-methylheptane?

an ext an ext

Density: 0.7±0.1 g/cm3
Boiling Point: 166.7±0.0 °C in ~ 760 mmHg
Vapour Pressure: 2.3±0.1 mmHg at 25°C
Enthalpy that Vaporization: 38.7±0.8 kJ/mol
Flash Point: 41.5±11.7 °C
Index that Refraction: 1.410
Molar Refractivity: 48.3±0.3 cm3
#H bond acceptors: 0
#H shortcut donors: 0
#Freely Rotating Bonds: 4
#Rule that 5 Violations: 1

ACD/LogP: 5.52
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2415.10
ACD/KOC (pH 5.5): 9185.46
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2415.10
ACD/KOC (pH 7.4): 9185.46
Polar surface ar Area: 0 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 22.1±3.0 dyne/cm
Molar Volume: 194.7±3.0 cm3

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

log Octanol-Water Partition Coef (SRC): log in Kow (KOWWIN v1.67 estimate) = 5.03 cook Pt, melting Pt, Vapor press Estimations (MPBPWIN v1.42): cook Pt (deg C): 124.32 (Adapted Stein & Brown method) melting Pt (deg C): -78.39 (Mean or weighted MP) VP(mm Hg,25 deg C): 15.6 (Mean VP that Antoine & serial methods) Water Solubility calculation from log in Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.2 log Kow used: 5.03 (estimated) no-melting pt equation used Water Sol calculation from Fragments: Wat solar (v1.01 est) = 0.43165 mg/L ECOSAR class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law constant (25 deg C) : Bond an approach : 5.30E+000 atm-m3/mole team Method: 1.17E+001 atm-m3/mole Henrys LC : 2.434E+000 atm-m3/mole log in Octanol-Air Partition Coefficient (25 deg C) : log Kow used: 5.03 (KowWin est) log in Kaw used: 2.336 (HenryWin est) log Koa (KOAWIN v1.10 estimate): 2.694 log in Koa (experimental database): nobody Probability of rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6798 Biowin2 (Non-Linear Model) : 0.7287 expert Survey Biodegradation Results: Biowin3 (Ultimate inspection Model): 2.8847 (weeks ) Biowin4 (Primary survey Model) : 3.6425 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI straight Model) : 0.2377 Biowin6 (MITI Non-Linear Model): 0.2839 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic direct Model): -0.0073 all set Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): log BioHC Half-Life (days) : 1.0111 BioHC Half-Life (days) : 10.2591 Sorption to aerosols (25 Dec C): Vapor press (liquid/subcooled): 1.95E+003 Pa (14.6 mm Hg) log Koa (Koawin est ): 2.694 Kp (particle/gas partition coef. (m3/ug)): Mackay version : 1.54E-009 Octanol/air (Koa) model: 1.21E-010 fraction sorbed to airborne particulates (phi): Junge-Pankow design : 5.57E-008 Mackay model : 1.23E-007 Octanol/air (Koa) model: 9.71E-009 Atmospheric Oxidation (25 deg C) : Hydroxyl Radicals Reaction: as whole OH Rate constant = 11.7808 E-12 cm3/molecule-sec Half-Life = 0.908 days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.895 Hrs Ozone Reaction: No Ozone Reaction Estimation portion sorbed to airborne particulates (phi): 8.95E-008 (Junge,Mackay) Note: the sorbed portion may it is in resistant come atmospheric oxidation soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1161 log in Koc: 3.065 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) : rate constants have the right to NOT be estimated for this structure! Bioaccumulation approximates from log in Kow (BCFWIN v2.17): log in BCF indigenous regression-based an approach = 3.175 (BCF = 1495) log in Kow used: 5.03 (estimated) Volatilization from Water: Henry LC: 5.3 atm-m3/mole (estimated by bond SAR Method) Half-Life from design River: 1.217 hrs Half-Life from version Lake : 113.3 hrs (4.721 days) removal In Wastewater treatment (recommended maximum 95%): full removal: 99.97 percent complete biodegradation: 0.15 percent full sludge adsorption: 48.55 percent full to Air: 51.27 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: massive Amount Half-Life Emissions (percent) (hr) (kg/hr) air 11.2 21.8 1000 Water 35.7 360 1000 soil 9.59 720 1000 Sediment 43.5 3.24e+003 0 Persistence Time: 169 hr

Click to predict nature on the Chemicalize site


Search Google:

See more: The Poop That Took A Pee Book, The Poop That Took A Pee: Southpark

PatentsPersonal Collections
Publication or newspaper ArticleWeb-based write-up (blog or commentary)
Available chemicals DatabasesBiological Properties
Chemical ReactionsChemical safety Data
Drugs or compound in DevelopmentImaging Agents
Information AggregatorsJournal Publishers via MeSH
Ligand/binding/crystal structure DatabasesMetabolic Pathways
Molecular Libraries Screening center NetworkNatural Products
NIH substance RepositoryPhysical nature (including SAR/QSAR databases)
Protein 3D StructuresSpectroscopy Databases
Substance VendorsTheoretical Properties
Toxicology/Environmental DatabasesVirtual Library