Mention this document p CSID:83963, http://www.cardonafam.com/Chemical-Structure.83963.html (accessed 22:12, Sep 20, 2021) CopyCopied Much more Extra div Thickness: td 1.6 ± 0.1 g/cm3 td Boiling Factor: 323.8 ± 37.0 ° C at 760 mmHg Vapour Stress: td 0.0 ± 0.7 mmHg at 25°° C tr Enthalpy of Evaporation: td 54.3 ± 3.0 kJ/mol td Blink Factor: 173.2 ± 25.7 ° C td tr Index of Refraction: td 1.638 td tr Molar Refractivity: td 75.8 ± 0.3 cm3 td tr #H bond acceptors: 0 td #H bond benefactors: td 0 tr #Freely Turning Bonds: 3 td #Rule of 5 Offenses: td 1 tr table br table tr ACD/LogP: 5.39 td tr td ACD/LogD(pH 5.5): 5.16 td ACD/BCF(pH 5.5): td 4885.55 td ACD/KOC (pH 5.5): 15209.55 td tr ACD/LogD (pH 7.4): td 5.16 tr ACD/BCF (pH 7.4): td 4885.55 td ACD/KOC (pH 7.4): td 15209.55 tr Polar Area: 0 Å 2 tr td Polarizability: td 30.0 ± 0.5 10-24cm3 td Surface area Stress: 49.0 ± 3.0 dyne/cm td Molar Quantity: td 210.8 ± 3.0 cm3 td tr br p Forecasted information is created utilizing the United States Epa's EPISuite ™ Log Octanol-Water Dividing Coef (SRC): Log Kow(KOWWIN v1.67 quote)= 5.28 Boiling Pt, Thawing Pt, Vapor Stress Estimates(MPBPWIN v1.42 ): Boiling Pt(deg C): 355.11(Adjusted Stein & Brown technique)Melting Pt(deg C): 105.25 (Mean or Heavy MP) VP(mm Hg,25 deg C): 1.64E-005(Customized Grain approach)Subcooled fluid VP: 9.98E-005 mm Hg(25 deg C, Mod-Grain approach)Water Solubility Quote from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C(mg/L): 0.2205 log Kow made use of: 5.28 (approximated) no-melting pt formula utilized Water Sol Price quote from Fragments: Wat Sol (v1.01 est)= 0.14045 mg/L ECOSAR Course Program (ECOSAR v0.99 h): Course(es)located: Benzyl Halides Henrys Legislation Consistent (25 deg C) HENRYWIN v3.10: Bond Approach: 8.46E-006 atm-m3/ mole Team Technique: Insufficient Henrys LC WSol price quote utilizing EPI worths: 3.328E-005 atm-m3/ mole Log Octanol-Air Dividing Coefficient(25 deg C) : Log Kow made use of: 5.28 (KowWin est)Log Kaw utilized: -3.461 (HenryWin est)Log Koa(KOAWIN v1.10 quote): 8.741 Log Koa(speculative data source): None Likelihood of Quick Biodegradation (BIOWIN v4.10): Biowin1(Direct Design): 0.7495 Biowin2 (Non-Linear Version): 0.0008 Professional Study Biodegradation Outcomes: Biowin3 (Ultimate Study Version): 2.5496 (weeks-months)Biowin4 (Key Study Version ): 3.4377(days-weeks)MITI Biodegradation Chance: Biowin5(MITI Linear Version): -0.0434 Biowin6 (MITI Non-Linear Version): 0.0013 Anaerobic Biodegradation Likelihood: Biowin7 (Anaerobic Linear Design ): 1.1025 Ready Biodegradability Forecast: NOHydrocarbon Biodegradation (BioHCwin v1.01): Framework inappropriate with present estimate approach! Sorption to aerosols (25 Dec C) AEROWIN v1.00: Vapor stress (liquid/subcooled): 0.0133 (9.98E-005 mm Hg) Log Koa (Koawin est ): 8.741 Kp (particle/gas dividers coef. (m3/ug)): Mackay design: 0.000225 Octanol/air (Koa) version: 0.000135 Portion sorbed to air-borne particulates (phi): Junge-Pankow design: 0.00808 Mackay version: 0.0177 Octanol/air (Koa) version: 0.0107 Climatic Oxidation (25 deg C) : Hydroxyl Radicals Response: OVERALL OH Price Consistent = 4.5216 E-12 cm3/molecule-sec Half-Life = 2.366 Days (12-hr day; 1.5 E6 OH/cm3) Half-Life = 28.386 Humans Resources Ozone Response: No Ozone Response Estimate Portion sorbed to air-borne particulates (phi): 0.0129 (Junge, Mackay) Note: the sorbed portion might be immune to climatic oxidation Dirt Adsorption Coefficient (PCKOCWIN v1.66): Koc: 5.812 E +004 Log Koc: 4.764 Liquid Base/Acid-Catalyzed Hydrolysis (25 deg C) : Price constants can NOT be approximated for this framework! Bioaccumulation Quotes from Log Kow (BCFWIN v2.17): Log BCF from regression-based technique = 3.365 (BCF = 2317) log Kow utilized: 5.28 (approximated) Volatilization from Water: Henry LC: 8.46E-006 atm-m3/ mole (approximated by Bond SAR Approach) Half-Life from Design River: 129.5 hrs (5.396 days) Half-Life from Design Lake: 1567 hrs (65.31 days) Elimination In Wastewater Therapy: Complete elimination: 84.81 percent Complete biodegradation: 0.72 percent Overall sludge adsorption: 84.04 percent Overall to Air: 0.05 percent (making use of 10000 human resources Biography P, A, S) Degree III Fugacity Version: Mass Quantity Half-Life Emissions (percent) (human resources) (kg/hr) Air 0.887 56.8 1000 Water 8.97 900 1000 Dirt 53.1 1.8 e +003 1000 Debris 37.1 8.1 e +003 0 Perseverance Time: 1.67 e +003 human resources cardonafam.com div Click to anticipate homes on the Chemicalize website p div br Look cardonafam.com: Browse Google: h3 Patents td Individual Collections td Magazine or Publication Post Online Post (blog site or discourse) td tr Offered Chemicals Data Sources td Organic Characteristics td Chain reaction Chemical Security Information tr Medicines or Substances in Growth td Imaging Professionals tr Details Collectors td Journal Publishers through MeSH tr Ligand/binding/crystal Framework Data Sources td Metabolic Pathways tr Molecular Libraries Testing Facility Network td All-natural Products td NIH Material Database td Physical Feature (consisting of SAR/QSAR data sources) Healthy Protein 3D Frameworks td Spectroscopy Data sources tr td Compound Suppliers td Academic Qualities Toxicology/Environmental Data sources Digital Collection tr table