Cyclohexylcyclopentane C11H20 structure – Flashcards
Flashcard maker : Livia Baldwin
| Molecular Formula | C11H20 |
| Average mass | 152.277 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 215.1±0.0 °C at 760 mmHg |
| Flash Point | 66.9±11.7 °C |
| Molar Refractivity | 48.8±0.3 cm3 |
| Polarizability | 19.3±0.5 10-24cm3 |
| Surface Tension | 33.6±3.0 dyne/cm |
| Molar Volume | 168.8±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: | 0.9±0.1 g/cm3 |
| Boiling Point: | 215.1±0.0 °C at 760 mmHg |
| Vapour Pressure: | 0.2±0.2 mmHg at 25°C |
| Enthalpy of Vaporization: | 43.3±0.8 kJ/mol |
| Flash Point: | 66.9±11.7 °C |
| Index of Refraction: | 1.490 |
| Molar Refractivity: | 48.8±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 1 |
| ACD/LogP: | 5.37 |
| ACD/LogD (pH 5.5): | 4.77 |
| ACD/BCF (pH 5.5): | 2484.66 |
| ACD/KOC (pH 5.5): | 9374.05 |
| ACD/LogD (pH 7.4): | 4.77 |
| ACD/BCF (pH 7.4): | 2484.66 |
| ACD/KOC (pH 7.4): | 9374.05 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 19.3±0.5 10-24cm3 |
| Surface Tension: | 33.6±3.0 dyne/cm |
| Molar Volume: | 168.8±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) = 5.37 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 201.73 (Adapted Stein & Brown method) Melting Pt (deg C): -18.51 (Mean or Weighted MP) VP(mm Hg,25 deg C): 0.477 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 0.5567 log Kow used: 5.37 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 0.78708 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 4.64E-001 atm-m3/mole Group Method: 1.81E-001 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.717E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.37 (KowWin est) Log Kaw used: 1.278 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.092 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6750 Biowin2 (Non-Linear Model) : 0.6998 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.8626 (weeks ) Biowin4 (Primary Survey Model) : 3.6280 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4615 Biowin6 (MITI Non-Linear Model): 0.4998 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.1651 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 1.3431 BioHC Half-Life (days) : 22.0353 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 58.4 Pa (0.438 mm Hg) Log Koa (Koawin est ): 4.092 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.14E-008 Octanol/air (Koa) model: 3.03E-009 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.86E-006 Mackay model : 4.11E-006 Octanol/air (Koa) model: 2.43E-007 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 16.6032 E-12 cm3/molecule-sec Half-Life = 0.644 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 7.731 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 2.98E-006 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 3389 Log Koc: 3.530 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 = 3.436 (BCF = 2730) log Kow used: 5.37 (estimated) Volatilization from Water: Henry LC: 0.464 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.261 hours Half-Life from Model Lake : 117.2 hours (4.884 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 99.57 percent Total biodegradation: 0.18 percent Total sludge adsorption: 55.09 percent Total to Air: 44.29 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.78 15.5 1000 Water 14.6 360 1000 Soil 46.5 720 1000 Sediment 36 3.24e+003 0 Persistence Time: 402 hr
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