1,1,1,3,5,5,5-heptamethyltrisiloxane c7h22o2si3 structure

Contents

• Retention Index (Normal Alkane):

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

• Experimental Physico-chemical Properties

  • Experimental Boiling Point:

    142 °COxford University Chemical Safety Data (No longer updated)More details

    142 °CAlfa AesarH60586

    141-142 °CSynQuest52912, 6183-1-02

    141 °COakwood[S09300]

    141 °CLabNetworkLN00198439

  • Experimental Flash Point:

    22 °COxford University Chemical Safety Data (No longer updated)More details

    22 °CAlfa Aesar

    22 °F (-5. 5556 °C)Alfa AesarH60586

    27 °CSynQuest52912, 6183-1-02

    27 °COakwood[S09300]

    22 °CLabNetworkLN00198439

  • Experimental Gravity:

    0. 819 g/mLAlfa AesarH60586

    0. 813 g/mLSynQuest6183-1-02

    0. 8136 g/mLOakwood[S09300]

    0. 98 g/mLFluorochem

    0. 99 g/mLFluorochem

    0. 98 g/lFluorochemHMS-991, HMS-992, HMS-993

    0. 99 g/lFluorochemHMS-991, HMS-992, HMS-993

  • Experimental Refraction Index:

    1. 3815SynQuest52912, 6183-1-02

• Miscellaneous

  • Appearance:

    colourless liquidOxford University Chemical Safety Data (No longer updated)More details

  • Stability:

    Stable. Flammable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated)More details

  • Safety:

    10-36/37/38Alfa AesarH60586

    23-26-37-60Alfa AesarH60586

    3Alfa AesarH60586

    DangerAlfa AesarH60586

    H225-H315-H319-H335Alfa AesarH60586

    IRRITANTMatrix Scientific097472

    P210-P261-P303+P361+P353-P305+P351+P338-P405-P501aAlfa AesarH60586

    Safety glasses, adequate ventilation. Oxford University Chemical Safety Data (No longer updated)More details

• Gas Chromatography

  • Retention Index (Kovats):

    743 (estimated with error: 89)NIST Spectramainlib_104190

  • Retention Index (Normal Alkane):

    842. 4 (Program type: Isothermal; Col… (show more)umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 1873887; Active phase: Lucopren G (silicone elastomer); Carrier gas: N2; Substrate: Celite 545 (0. 12-0. 15 mm); Data type: Normal alkane RI; Authors: Wurst, M.; Churacek, J., Analyse von organosiliciumverbindungen. VI. Retentionsindices der organosiliciumverbindungen bie der gaschromatographie, Collect. Czech. Chem. Commun., 36, 1971, 3497-3506.)NIST Spectranist ri

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) = 7. 78Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1. 42): Boiling Pt (deg C): -7. 34 (Adapted Stein & Brown method)Melting Pt (deg C): -36. 32 (Mean or Weighted MP)VP(mm Hg, 25 deg C): 2. 38E+003 (Mean VP of Antoine & Grain methods)Water Solubility Estimate from Log Kow (WSKOW v1. 41): Water Solubility at 25 deg C (mg/L): 0. 0005123log Kow used: 7. 78 (estimated)no-melting pt equation usedWater Sol Estimate from Fragments: Wat Sol (v1. 01 est) = 9. 6628e-007 mg/LECOSAR 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]: 4. 343E+005 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. 6459Biowin2 (Non-Linear Model) : 0. 0000Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 1. 2226 (recalcitrant)Biowin4 (Primary Survey Model) : 2. 4526 (weeks-months)MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0. 5235Biowin6 (MITI Non-Linear Model): 0. 2488Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1. 5035Ready Biodegradability Prediction: NOHydrocarbon Biodegradation (BioHCwin v1. 01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1. 00]: Vapor pressure (liquid/subcooled): 3. 09E+005 Pa (2. 32E+003 mm Hg)Log Koa (): not availableKp (particle/gas partition coef. (m3/ug)): Mackay model : 9. 7E-012 Octanol/air (Koa) model: not availableFraction sorbed to airborne particulates (phi): Junge-Pankow model : 3. 5E-010 Mackay model : 7. 76E-010 Octanol/air (Koa) model: not availableAtmospheric Oxidation (25 deg C) [AopWin v1. 92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 0. 0000 E-12 cm3/molecule-secHalf-Life = -------Ozone Reaction: No Ozone Reaction EstimationFraction sorbed to airborne particulates (phi): 5. 63E-010 (Junge, Mackay)Note: the sorbed fraction may be resistant to atmospheric oxidationSoil Adsorption Coefficient (PCKOCWIN v1. 66): Koc : 2167Log Koc: 3. 336 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 = 3. 748 (BCF = 5599)log Kow used: 7. 78 (estimated)Volatilization from Water: Henry LC: 4. 34E+005 atm-m3/mole (calculated from VP/WS)Half-Life from Model River: 1. 522 hoursHalf-Life from Model Lake : 141. 7 hours (5. 903 days)Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 100. 00 percentTotal biodegradation: 0. 18 percentTotal sludge adsorption: 59. 87 percentTotal to Air: 39. 95 percent(using 10000 hr Bio P, A, S)Level III Fugacity Model: Mass Amount Half-Life Emissions(percent) (hr) (kg/hr)Air 1. 05 1e+005 1000 Water 1. 25 4. 32e+003 1000 Soil 0. 0111 8. 64e+003 1000 Sediment 97. 7 3. 89e+004 0 Persistence Time: 6. 38e+003 hr 

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