Tetracosane C24H50 structure – Flashcards
Flashcard maker : Brooke Sharp
Contents
| Molecular Formula | C24H50 |
| Average mass | 338.654 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 391.1±5.0 °C at 760 mmHg |
| Flash Point | 234.5±7.2 °C |
| Molar Refractivity | 113.2±0.3 cm3 |
| Polarizability | 44.9±0.5 10-24cm3 |
| Surface Tension | 29.2±3.0 dyne/cm |
| Molar Volume | 424.7±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- 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: | 391.1±5.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.4 mmHg at 25°C |
| Enthalpy of Vaporization: | 61.6±0.8 kJ/mol |
| Flash Point: | 234.5±7.2 °C |
| Index of Refraction: | 1.446 |
| Molar Refractivity: | 113.2±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 21 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 13.51 |
| ACD/LogD (pH 5.5): | 12.82 |
| ACD/BCF (pH 5.5): | 1000000.00 |
| ACD/KOC (pH 5.5): | 10000000.00 |
| ACD/LogD (pH 7.4): | 12.82 |
| ACD/BCF (pH 7.4): | 1000000.00 |
| ACD/KOC (pH 7.4): | 10000000.00 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 44.9±0.5 10-24cm3 |
| Surface Tension: | 29.2±3.0 dyne/cm |
| Molar Volume: | 424.7±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) = 12.13 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 380.83 (Adapted Stein & Brown method) Melting Pt (deg C): 97.89 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.69E-005 (Modified Grain method) MP (exp database): 54 deg C BP (exp database): 391.3 deg C VP (exp database): 4.07E-06 mm Hg at 25 deg C Subcooled liquid VP: 7.88E-006 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): 9.25e-008 log Kow used: 12.13 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.3867e-007 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.80E+002 atm-m3/mole Group Method: 8.48E+002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 8.142E+001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 12.13 (KowWin est) Log Kaw used: 4.059 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.071 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8032 Biowin2 (Non-Linear Model) : 0.8684 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0474 (weeks ) Biowin4 (Primary Survey Model) : 3.8973 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7926 Biowin6 (MITI Non-Linear Model): 0.9035 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6133 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.7568 BioHC Half-Life (days) : 57.1247 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00105 Pa (7.88E-006 mm Hg) Log Koa (Koawin est ): 8.071 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00286 Octanol/air (Koa) model: 2.89E-005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0935 Mackay model : 0.186 Octanol/air (Koa) model: 0.00231 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 30.8932 E-12 cm3/molecule-sec Half-Life = 0.346 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.155 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.14 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 9.086E+006 Log Koc: 6.958 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: 12.13 (estimated) Volatilization from Water: Henry LC: 280 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.878 hours Half-Life from Model Lake : 174.8 hours (7.283 days) Removal In Wastewater Treatment: Total removal: 94.06 percent Total biodegradation: 0.78 percent Total sludge adsorption: 93.13 percent Total to Air: 0.15 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.286 8.31 1000 Water 3.74 360 1000 Soil 28 720 1000 Sediment 68 3.24e+003 0 Persistence Time: 1.24e+003 hr
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