1-Ethyl-2-methylcyclopentane C8H16 structure – Flashcards
Flashcard maker : Oscar Hall
| Molecular Formula | C8H16 |
| Average mass | 112.213 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 124.1±7.0 °C at 760 mmHg |
| Flash Point | 13.5±11.7 °C |
| Molar Refractivity | 37.1±0.3 cm3 |
| Polarizability | 14.7±0.5 10-24cm3 |
| Surface Tension | 24.0±3.0 dyne/cm |
| Molar Volume | 146.3±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
- Gas Chromatography
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 0.8±0.1 g/cm3 |
| Boiling Point: | 124.1±7.0 °C at 760 mmHg |
| Vapour Pressure: | 15.6±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 34.7±0.8 kJ/mol |
| Flash Point: | 13.5±11.7 °C |
| Index of Refraction: | 1.421 |
| Molar Refractivity: | 37.1±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 4.34 |
| ACD/LogD (pH 5.5): | 4.23 |
| ACD/BCF (pH 5.5): | 966.69 |
| ACD/KOC (pH 5.5): | 4769.46 |
| ACD/LogD (pH 7.4): | 4.23 |
| ACD/BCF (pH 7.4): | 966.69 |
| ACD/KOC (pH 7.4): | 4769.46 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 14.7±0.5 10-24cm3 |
| Surface Tension: | 24.0±3.0 dyne/cm |
| Molar Volume: | 146.3±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) = 4.01 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 121.35 (Adapted Stein & Brown method) Melting Pt (deg C): -64.69 (Mean or Weighted MP) VP(mm Hg,25 deg C): 17.9 (Mean VP of Antoine & Grain methods) MP (exp database): -105.9 deg C BP (exp database): 121.2 deg C VP (exp database): 2.00E+01 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 11.67 log Kow used: 4.01 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 3.7057 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.50E-001 atm-m3/mole Group Method: 5.60E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.265E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.01 (KowWin est) Log Kaw used: 1.265 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.745 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6941 Biowin2 (Non-Linear Model) : 0.8046 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9512 (weeks ) Biowin4 (Primary Survey Model) : 3.6858 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5126 Biowin6 (MITI Non-Linear Model): 0.5511 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4218 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.6831 BioHC Half-Life (days) : 4.8210 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.67E+003 Pa (20 mm Hg) Log Koa (Koawin est ): 2.745 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.12E-009 Octanol/air (Koa) model: 1.36E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.06E-008 Mackay model : 9E-008 Octanol/air (Koa) model: 1.09E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 8.3853 E-12 cm3/molecule-sec Half-Life = 1.276 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 15.307 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 6.53E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 464.2 Log Koc: 2.667 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 = 2.388 (BCF = 244.5) log Kow used: 4.01 (estimated) Volatilization from Water: Henry LC: 0.45 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.082 hours Half-Life from Model Lake : 100.6 hours (4.193 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.50 percent Total biodegradation: 0.06 percent Total sludge adsorption: 17.52 percent Total to Air: 81.92 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 21.9 30.6 1000 Water 54.8 360 1000 Soil 16.1 720 1000 Sediment 7.13 3.24e+003 0 Persistence Time: 112 hr
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