1-Ethyl-1-methylcyclopentane C8H16 structure – Flashcards
Flashcard maker : Amber Moore
Contents
| Molecular Formula | C8H16 |
| Average mass | 112.213 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 118.8±7.0 °C at 760 mmHg |
| Flash Point | 10.6±11.7 °C |
| Molar Refractivity | 37.0±0.3 cm3 |
| Polarizability | 14.7±0.5 10-24cm3 |
| Surface Tension | 26.4±3.0 dyne/cm |
| Molar Volume | 144.7±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: | 118.8±7.0 °C at 760 mmHg |
| Vapour Pressure: | 19.6±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 33.2±0.0 kJ/mol |
| Flash Point: | 10.6±11.7 °C |
| Index of Refraction: | 1.425 |
| Molar Refractivity: | 37.0±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 4.39 |
| ACD/LogD (pH 5.5): | 4.04 |
| ACD/BCF (pH 5.5): | 690.50 |
| ACD/KOC (pH 5.5): | 3748.66 |
| ACD/LogD (pH 7.4): | 4.04 |
| ACD/BCF (pH 7.4): | 690.50 |
| ACD/KOC (pH 7.4): | 3748.66 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 14.7±0.5 10-24cm3 |
| Surface Tension: | 26.4±3.0 dyne/cm |
| Molar Volume: | 144.7±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) = 4.05 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 115.81 (Adapted Stein & Brown method) Melting Pt (deg C): -52.24 (Mean or Weighted MP) VP(mm Hg,25 deg C): 17.6 (Mean VP of Antoine & Grain methods) MP (exp database): -143.8 deg C BP (exp database): 121.6 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 10.87 log Kow used: 4.05 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 5.2207 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: 4.66E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.391E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 4.05 (KowWin est) Log Kaw used: 1.265 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.785 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.5102 Biowin2 (Non-Linear Model) : 0.4236 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.7391 (weeks-months) Biowin4 (Primary Survey Model) : 3.5324 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5751 Biowin6 (MITI Non-Linear Model): 0.7502 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1114 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.3920 BioHC Half-Life (days) : 24.6599 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.19E+003 Pa (16.4 mm Hg) Log Koa (Koawin est ): 2.785 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.37E-009 Octanol/air (Koa) model: 1.5E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 4.96E-008 Mackay model : 1.1E-007 Octanol/air (Koa) model: 1.2E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 5.1008 E-12 cm3/molecule-sec Half-Life = 2.097 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 25.163 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 7.97E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 423.6 Log Koc: 2.627 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 = 2.416 (BCF = 260.6) log Kow used: 4.05 (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: 99.51 percent Total biodegradation: 0.07 percent Total sludge adsorption: 18.67 percent Total to Air: 80.77 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 23.2 50.3 1000 Water 50.3 900 1000 Soil 13.1 1.8e+003 1000 Sediment 13.4 8.1e+003 0 Persistence Time: 155 hr
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