7-Methyltetradecane C15H32 structure – Flashcards
Flashcard maker : Amari Finch
| Molecular Formula | C15H32 |
| Average mass | 212.415 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 259.0±7.0 °C at 760 mmHg |
| Flash Point | 86.4±11.4 °C |
| Molar Refractivity | 71.5±0.3 cm3 |
| Polarizability | 28.3±0.5 10-24cm3 |
| Surface Tension | 26.3±3.0 dyne/cm |
| Molar Volume | 276.5±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.8±0.1 g/cm3 |
| Boiling Point: | 259.0±7.0 °C at 760 mmHg |
| Vapour Pressure: | 0.0±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 47.7±0.8 kJ/mol |
| Flash Point: | 86.4±11.4 °C |
| Index of Refraction: | 1.430 |
| Molar Refractivity: | 71.5±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 11 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 8.54 |
| ACD/LogD (pH 5.5): | 7.99 |
| ACD/BCF (pH 5.5): | 693563.00 |
| ACD/KOC (pH 5.5): | 527982.50 |
| ACD/LogD (pH 7.4): | 7.99 |
| ACD/BCF (pH 7.4): | 693563.00 |
| ACD/KOC (pH 7.4): | 527982.50 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 28.3±0.5 10-24cm3 |
| Surface Tension: | 26.3±3.0 dyne/cm |
| Molar Volume: | 276.5±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) = 7.63 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 250.22 (Adapted Stein & Brown method) Melting Pt (deg C): 1.54 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.0436 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.003311 log Kow used: 7.63 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.00047379 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.19E+001 atm-m3/mole Group Method: 4.55E+001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.681E+000 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 7.63 (KowWin est) Log Kaw used: 2.952 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.678 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8633 Biowin2 (Non-Linear Model) : 0.9754 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3264 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0794 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5743 Biowin6 (MITI Non-Linear Model): 0.7458 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0819 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.2205 BioHC Half-Life (days) : 16.6156 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.69 Pa (0.0427 mm Hg) Log Koa (Koawin est ): 4.678 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.27E-007 Octanol/air (Koa) model: 1.17E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.9E-005 Mackay model : 4.22E-005 Octanol/air (Koa) model: 9.36E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 18.4519 E-12 cm3/molecule-sec Half-Life = 0.580 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 6.956 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 3.06E-005 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3.231E+004 Log Koc: 4.509 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 = 2.441 (BCF = 276) log Kow used: 7.63 (estimated) Volatilization from Water: Henry LC: 21.9 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.487 hours Half-Life from Model Lake : 138.4 hours (5.768 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.43 percent Total biodegradation: 0.23 percent Total sludge adsorption: 63.03 percent Total to Air: 36.17 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.976 13.9 1000 Water 6 208 1000 Soil 27.7 416 1000 Sediment 65.3 1.87e+003 0 Persistence Time: 641 hr
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