Hexacosane C26H54 structure – Flashcards
Flashcard maker : Lesly Nixon
Contents
| Molecular Formula | C26H54 |
| Average mass | 366.707 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 412.2±8.0 °C at 760 mmHg |
| Flash Point | 257.6±8.0 °C |
| Molar Refractivity | 122.5±0.3 cm3 |
| Polarizability | 48.6±0.5 10-24cm3 |
| Surface Tension | 29.5±3.0 dyne/cm |
| Molar Volume | 457.7±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Predicted Physico-chemical Properties
- Miscellaneous
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.8±0.1 g/cm3 |
| Boiling Point: | 412.2±8.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.5 mmHg at 25°C |
| Enthalpy of Vaporization: | 63.9±0.8 kJ/mol |
| Flash Point: | 257.6±8.0 °C |
| Index of Refraction: | 1.448 |
| Molar Refractivity: | 122.5±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 23 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 14.57 |
| ACD/LogD (pH 5.5): | 13.66 |
| ACD/BCF (pH 5.5): | 1000000.00 |
| ACD/KOC (pH 5.5): | 10000000.00 |
| ACD/LogD (pH 7.4): | 13.66 |
| ACD/BCF (pH 7.4): | 1000000.00 |
| ACD/KOC (pH 7.4): | 10000000.00 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 48.6±0.5 10-24cm3 |
| Surface Tension: | 29.5±3.0 dyne/cm |
| Molar Volume: | 457.7±3.0 cm3 |
Predicted data is generated using the US Environmental Protection Agency’s EPISuite™
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 13.11 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 404.04 (Adapted Stein & Brown method) Melting Pt (deg C): 115.94 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.26E-006 (Modified Grain method) MP (exp database): 56.4 deg C BP (exp database): 412.2 deg C VP (exp database): 4.69E-07 mm Hg at 25 deg C Subcooled liquid VP: 9.59E-007 mm Hg (25 deg C, exp database VP ) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 9.071e-009 log Kow used: 13.11 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 0.0017 mg/L (25 deg C) Exper. Ref: SHAW,DG (1989) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.6672e-007 mg/L Wat Sol (Exper. database match) = 0.00 Exper. Ref: SHAW,DG (1989) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.94E+002 atm-m3/mole Group Method: 1.69E+003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.798E+002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 13.11 (KowWin est) Log Kaw used: 4.305 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.805 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7898 Biowin2 (Non-Linear Model) : 0.8159 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9854 (weeks ) Biowin4 (Primary Survey Model) : 3.8568 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.8080 Biowin6 (MITI Non-Linear Model): 0.9077 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6652 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.8896 BioHC Half-Life (days) : 77.5580 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.000128 Pa (9.59E-007 mm Hg) Log Koa (Koawin est ): 8.805 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.0235 Octanol/air (Koa) model: 0.000157 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.459 Mackay model : 0.652 Octanol/air (Koa) model: 0.0124 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 33.7193 E-12 cm3/molecule-sec Half-Life = 0.317 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.806 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.556 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.091E+007 Log Koc: 7.490 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: 13.11 (estimated) Volatilization from Water: Henry LC: 494 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.954 hours Half-Life from Model Lake : 181.9 hours (7.579 days) Removal In Wastewater Treatment: Total removal: 94.04 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.23 percent Total to Air: 0.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.264 7.61 1000 Water 3.73 360 1000 Soil 28 720 1000 Sediment 68 3.24e+003 0 Persistence Time: 1.24e+003 hr
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