cyclooctadiene C8H12 structure – Flashcards
Flashcard maker : Noah Thomson
Contents
| Molecular Formula | C8H12 |
| Average mass | 108.181 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 150.1±7.0 °C at 760 mmHg |
| Flash Point | 24.4±0.0 °C |
| Molar Refractivity | 36.1±0.3 cm3 |
| Polarizability | 14.3±0.5 10-24cm3 |
| Surface Tension | 30.9±3.0 dyne/cm |
| Molar Volume | 128.5±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- 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: | 150.1±7.0 °C at 760 mmHg |
| Vapour Pressure: | 5.0±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 37.1±0.8 kJ/mol |
| Flash Point: | 24.4±0.0 °C |
| Index of Refraction: | 1.474 |
| Molar Refractivity: | 36.1±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 3.52 |
| ACD/LogD (pH 5.5): | 3.38 |
| ACD/BCF (pH 5.5): | 217.07 |
| ACD/KOC (pH 5.5): | 1637.39 |
| ACD/LogD (pH 7.4): | 3.38 |
| ACD/BCF (pH 7.4): | 217.07 |
| ACD/KOC (pH 7.4): | 1637.39 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 14.3±0.5 10-24cm3 |
| Surface Tension: | 30.9±3.0 dyne/cm |
| Molar Volume: | 128.5±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) = 3.73 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 146.72 (Adapted Stein & Brown method) Melting Pt (deg C): -57.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 5.93 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 20.99 log Kow used: 3.73 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 317.42 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.49E-001 atm-m3/mole Group Method: 2.23E-002 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 4.021E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 3.73 (KowWin est) Log Kaw used: 0.785 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.945 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6960 Biowin2 (Non-Linear Model) : 0.8134 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9601 (weeks ) Biowin4 (Primary Survey Model) : 3.6917 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.4940 Biowin6 (MITI Non-Linear Model): 0.6136 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.0619 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.8183 BioHC Half-Life (days) : 6.5809 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 728 Pa (5.46 mm Hg) Log Koa (Koawin est ): 2.945 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.12E-009 Octanol/air (Koa) model: 2.16E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.49E-007 Mackay model : 3.3E-007 Octanol/air (Koa) model: 1.73E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 147.1237 E-12 cm3/molecule-sec Half-Life = 0.073 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.872 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 32.000000 E-17 cm3/molecule-sec Half-Life = 0.036 Days (at 7E11 mol/cm3) Half-Life = 51.570 Min Reaction With Nitrate Radicals May Be Important! Fraction sorbed to airborne particulates (phi): 2.39E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 562.9 Log Koc: 2.750 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 = 2.170 (BCF = 148) log Kow used: 3.73 (estimated) Volatilization from Water: Henry LC: 0.0223 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 1.089 hours Half-Life from Model Lake : 99.09 hours (4.129 days) Removal In Wastewater Treatment: Total removal: 90.59 percent Total biodegradation: 0.07 percent Total sludge adsorption: 11.67 percent Total to Air: 78.85 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.301 0.576 1000 Water 32.3 360 1000 Soil 65.1 720 1000 Sediment 2.31 3.24e+003 0 Persistence Time: 191 hr
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