Undecane C11H24 structure – Flashcards
Flashcard maker : Karlie Mack
Contents
| Molecular Formula | C11H24 |
| Average mass | 156.308 Da |
| Density | 0.7±0.1 g/cm3 |
| Boiling Point | 196.3±3.0 °C at 760 mmHg |
| Flash Point | 60.0±0.0 °C |
| Molar Refractivity | 53.0±0.3 cm3 |
| Polarizability | 21.0±0.5 10-24cm3 |
| Surface Tension | 25.0±3.0 dyne/cm |
| Molar Volume | 210.1±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: | 0.7±0.1 g/cm3 |
| Boiling Point: | 196.3±3.0 °C at 760 mmHg |
| Vapour Pressure: | 0.6±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 41.5±0.8 kJ/mol |
| Flash Point: | 60.0±0.0 °C |
| Index of Refraction: | 1.419 |
| Molar Refractivity: | 53.0±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 8 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 6.60 |
| ACD/LogD (pH 5.5): | 6.24 |
| ACD/BCF (pH 5.5): | 32439.46 |
| ACD/KOC (pH 5.5): | 58967.24 |
| ACD/LogD (pH 7.4): | 6.24 |
| ACD/BCF (pH 7.4): | 32439.46 |
| ACD/KOC (pH 7.4): | 58967.24 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 21.0±0.5 10-24cm3 |
| Surface Tension: | 25.0±3.0 dyne/cm |
| Molar Volume: | 210.1±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) = 5.74 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 185.61 (Adapted Stein & Brown method) Melting Pt (deg C): -32.36 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.629 (Mean VP of Antoine & Grain methods) MP (exp database): -25.6 deg C BP (exp database): 195.9 deg C VP (exp database): 4.12E-01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.2571 log Kow used: 5.74 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 0.0044 mg/L (25 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.029256 mg/L Wat Sol (Exper. database match) = 0.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.04E+000 atm-m3/mole Group Method: 9.52E+000 atm-m3/mole Exper Database: 1.93E+00 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 5.032E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.74 (KowWin est) Log Kaw used: 1.897 (exp database) Log Koa (KOAWIN v1.10 estimate): 3.843 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8900 Biowin2 (Non-Linear Model) : 0.9888 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.4504 (days-weeks ) Biowin4 (Primary Survey Model) : 4.1604 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6927 Biowin6 (MITI Non-Linear Model): 0.8718 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2754 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.0041 BioHC Half-Life (days) : 10.0938 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 54.9 Pa (0.412 mm Hg) Log Koa (Koawin est ): 3.843 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.46E-008 Octanol/air (Koa) model: 1.71E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.97E-006 Mackay model : 4.37E-006 Octanol/air (Koa) model: 1.37E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.5235 E-12 cm3/molecule-sec Half-Life = 0.854 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.249 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.17E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3179 Log Koc: 3.502 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 = 2.722 (BCF = 527.8) log Kow used: 5.74 (estimated) Volatilization from Water: Henry LC: 1.93 atm-m3/mole (Henry experimental database) Half-Life from Model River: 1.276 hours Half-Life from Model Lake : 118.8 hours (4.948 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.85 percent Total biodegradation: 0.18 percent Total sludge adsorption: 57.81 percent Total to Air: 41.86 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 4.14 19.4 1000 Water 15 208 1000 Soil 35.4 416 1000 Sediment 45.4 1.87e+003 0 Persistence Time: 302 hr
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