Boric acid h3bo3 structure

Contents

• Bio Activity:

• Experimental data
• Predicted – ACD/Labs
• Predicted – EPISuite
• Predicted – ChemAxon

• Experimental Physico-chemical Properties

  • Experimental Melting Point:

    185 °C (Decomposes)Alfa Aesar33253, 12680, 10659

    170. 9 °CJean-Claude Bradley Open Melting Point Dataset20629

    185 °C (Decomposes)Alfa Aesar36771, A16624, A10896

    160 °C (Decomposes)Oakwood094443

    170. 9 °CLabNetworkLN00193674

    171 °CFooDBFDB014459

  • Experimental Flash Point:

  • Experimental Gravity:

    1. 435 g/mLAlfa Aesar36771, A16624, A10896

    1. 44 g/mLOakwood094443

    1. 44 g/mLFluorochem

    1. 44 g/lFluorochem094443

  • Experimental Solubility:

    Soluble in water (1 gram in 18ml cold or 4ml boiling water). Solubility in water is increased by addition of HCl, citric or tartaric acidAlfa Aesar33253

    Soluble to 600 mM in waterTocris Bioscience3177

• Miscellaneous

  • Safety:

    53-45Alfa AesarA10896, A16624, 36771

    60-61Alfa AesarA10896, A16624, 36771

    DangerAlfa AesarA10896, A16624

    H360FDAlfa AesarA10896, A16624

    P201-P308+P313Alfa AesarA10896, A16624

    TAbblis ChemicalsAB1002298

    WARNING: Irreversible damage risk, protect skin/eyes/lungs. Alfa AesarA10896, A16624, 10659, 12680, 33253, 36771

    WARNING: Irritates eyes, lungs, may be harmful if swallowedAlfa AesarA10896, A16624, 10659, 12680, 33253, 36771

  • Bio Activity:

    Buffers, Solvents and SolutionsTocris Bioscience3177

    ReagentsTocris Bioscience3177

    Widely used in buffers for electrophoresisTocris Bioscience3177

    Widely used in buffers for electrophoresis. Tocris Bioscience3177

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

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

 Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1. 67 estimate) = -0. 22Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1. 42): Boiling Pt (deg C): 616. 55 (Adapted Stein & Brown method)Melting Pt (deg C): 267. 04 (Mean or Weighted MP)VP(mm Hg, 25 deg C): 7. 36E-017 (Modified Grain method)MP (exp database): 170. 9 deg CSubcooled liquid VP: 2. 37E-015 mm Hg (25 deg C, Mod-Grain method)Water Solubility Estimate from Log Kow (WSKOW v1. 41): Water Solubility at 25 deg C (mg/L): 2. 117e+005log Kow used: -0. 22 (estimated)no-melting pt equation usedWater Sol (Exper. database match) = 5e+004 mg/L (25 deg C)Exper. Ref: SHIU, WY ET AL. (1990)Water Sol Estimate from Fragments: Wat Sol (v1. 01 est) = 1e+006 mg/LWat Sol (Exper. database match) = 50000. 00Exper. Ref: SHIU, WY ET AL. (1990)ECOSAR Class Program (ECOSAR v0. 99h): Class(es) found: Neutral OrganicsHenrys Law Constant (25 deg C) [HENRYWIN v3. 10]: Bond Method : IncompleteGroup Method: IncompleteHenrys LC [VP/WSol estimate using EPI values]: 2. 828E-023 atm-m3/moleLog Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1. 10]: Can Not Estimate (can not calculate HenryLC)Probability of Rapid Biodegradation (BIOWIN v4. 10): Biowin1 (Linear Model) : 0. 7181Biowin2 (Non-Linear Model) : 0. 8938Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3. 0625 (weeks )Biowin4 (Primary Survey Model) : 3. 7585 (days )MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0. 5282Biowin6 (MITI Non-Linear Model): 0. 6771Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0. 8361Ready Biodegradability Prediction: YESHydrocarbon Biodegradation (BioHCwin v1. 01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1. 00]: Vapor pressure (liquid/subcooled): 3. 16E-013 Pa (2. 37E-015 mm Hg)Log Koa (): not availableKp (particle/gas partition coef. (m3/ug)): Mackay model : 9. 49E+006 Octanol/air (Koa) model: not availableFraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: not availableAtmospheric Oxidation (25 deg C) [AopWin v1. 92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0. 4200 E-12 cm3/molecule-secHalf-Life = 25. 467 Days (12-hr day; 1. 5E6 OH/cm3)Ozone Reaction: No Ozone Reaction EstimationFraction sorbed to airborne particulates (phi): 1 (Junge, Mackay)Note: the sorbed fraction may be resistant to atmospheric oxidationSoil Adsorption Coefficient (PCKOCWIN v1. 66): Koc : 35. 04Log Koc: 1. 545 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1. 67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2. 17): Log BCF from regression-based method = 0. 500 (BCF = 3. 162)log Kow used: -0. 22 (estimated)Volatilization from Water: Henry LC: 2. 83E-023 atm-m3/mole (calculated from VP/WS)Half-Life from Model River: 1. 628E+019 hours (6. 782E+017 days)Half-Life from Model Lake : 1. 776E+020 hours (7. 399E+018 days)Removal In Wastewater Treatment: Total removal: 1. 85 percentTotal biodegradation: 0. 09 percentTotal sludge adsorption: 1. 76 percentTotal to Air: 0. 00 percent(using 10000 hr Bio P, A, S)Level III Fugacity Model: Mass Amount Half-Life Emissions(percent) (hr) (kg/hr)Air 3. 28e-008 611 1000 Water 38. 7 360 1000 Soil 61. 2 720 1000 Sediment 0. 0711 3. 24e+003 0 Persistence Time: 581 hr 

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