1-Hexadecene C16H32 structure – Flashcards
Flashcard maker : Tilly Wilkinson
Contents
| Molecular Formula | C16H32 |
| Average mass | 224.425 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 284.8±3.0 °C at 760 mmHg |
| Flash Point | 132.2±0.0 °C |
| Molar Refractivity | 75.9±0.3 cm3 |
| Polarizability | 30.1±0.5 10-24cm3 |
| Surface Tension | 27.3±3.0 dyne/cm |
| Molar Volume | 287.7±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- Experimental 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: | 284.8±3.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.3 mmHg at 25°C |
| Enthalpy of Vaporization: | 50.3±0.8 kJ/mol |
| Flash Point: | 132.2±0.0 °C |
| Index of Refraction: | 1.440 |
| Molar Refractivity: | 75.9±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 13 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 8.75 |
| ACD/LogD (pH 5.5): | 8.24 |
| ACD/BCF (pH 5.5): | 1000000.00 |
| ACD/KOC (pH 5.5): | 726710.63 |
| ACD/LogD (pH 7.4): | 8.24 |
| ACD/BCF (pH 7.4): | 1000000.00 |
| ACD/KOC (pH 7.4): | 726710.63 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 30.1±0.5 10-24cm3 |
| Surface Tension: | 27.3±3.0 dyne/cm |
| Molar Volume: | 287.7±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) = 8.06 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 275.88 (Adapted Stein & Brown method) Melting Pt (deg C): 21.29 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.00766 (Modified Grain method) MP (exp database): 4.1 deg C BP (exp database): 284.9 deg C VP (exp database): 2.64E-03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.001232 log Kow used: 8.06 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00039982 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.10E+000 atm-m3/mole Group Method: 1.69E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.836E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 8.06 (KowWin est) Log Kaw used: 2.397 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 5.663 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7491 Biowin2 (Non-Linear Model) : 0.8410 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0015 (weeks ) Biowin4 (Primary Survey Model) : 3.7930 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.7058 Biowin6 (MITI Non-Linear Model): 0.8500 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5561 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.2362 BioHC Half-Life (days) : 17.2258 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.352 Pa (0.00264 mm Hg) Log Koa (Koawin est ): 5.663 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 8.52E-006 Octanol/air (Koa) model: 1.13E-007 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.000308 Mackay model : 0.000681 Octanol/air (Koa) model: 9.04E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 44.3085 E-12 cm3/molecule-sec Half-Life = 0.241 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.897 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 0.000495 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 6.786E+004 Log Koc: 4.832 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 = 1.854 (BCF = 71.49) log Kow used: 8.06 (estimated) Volatilization from Water: Henry LC: 6.1 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.529 hours Half-Life from Model Lake : 142.3 hours (5.929 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 96.99 percent Total biodegradation: 0.48 percent Total sludge adsorption: 76.68 percent Total to Air: 19.83 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.175 4.62 1000 Water 3.8 360 1000 Soil 27.7 720 1000 Sediment 68.4 3.24e+003 0 Persistence Time: 1.22e+003 hr
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