2-Cyclopentenol C5H8O structure – Flashcards
Flashcard maker : Lewis Edwards
Contents
| Molecular Formula | C5H8O |
| Average mass | 84.116 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 136.5±19.0 °C at 760 mmHg |
| Flash Point | 42.0±13.7 °C |
| Molar Refractivity | 24.3±0.3 cm3 |
| Polarizability | 9.6±0.5 10-24cm3 |
| Surface Tension | 39.7±3.0 dyne/cm |
| Molar Volume | 79.0±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Miscellaneous
Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module
| Density: | 1.1±0.1 g/cm3 |
| Boiling Point: | 136.5±19.0 °C at 760 mmHg |
| Vapour Pressure: | 3.1±0.5 mmHg at 25°C |
| Enthalpy of Vaporization: | 43.6±6.0 kJ/mol |
| Flash Point: | 42.0±13.7 °C |
| Index of Refraction: | 1.526 |
| Molar Refractivity: | 24.3±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 1 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 0.42 |
| ACD/LogD (pH 5.5): | 0.65 |
| ACD/BCF (pH 5.5): | 1.85 |
| ACD/KOC (pH 5.5): | 54.10 |
| ACD/LogD (pH 7.4): | 0.65 |
| ACD/BCF (pH 7.4): | 1.85 |
| ACD/KOC (pH 7.4): | 54.10 |
| Polar Surface Area: | 20 Å2 |
| Polarizability: | 9.6±0.5 10-24cm3 |
| Surface Tension: | 39.7±3.0 dyne/cm |
| Molar Volume: | 79.0±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) = 0.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 140.59 (Adapted Stein & Brown method) Melting Pt (deg C): -43.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 2.28 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 6.657e+004 log Kow used: 0.93 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 71772 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Alcohols Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 3.24E-006 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 3.791E-006 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.93 (KowWin est) Log Kaw used: -3.878 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 4.808 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8662 Biowin2 (Non-Linear Model) : 0.9494 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1732 (weeks ) Biowin4 (Primary Survey Model) : 3.8558 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6873 Biowin6 (MITI Non-Linear Model): 0.8179 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6212 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 275 Pa (2.06 mm Hg) Log Koa (Koawin est ): 4.808 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.09E-008 Octanol/air (Koa) model: 1.58E-008 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.95E-007 Mackay model : 8.74E-007 Octanol/air (Koa) model: 1.26E-006 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 63.5247 E-12 cm3/molecule-sec Half-Life = 0.168 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 2.021 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 20.000000 E-17 cm3/molecule-sec Half-Life = 0.057 Days (at 7E11 mol/cm3) Half-Life = 1.375 Hrs Fraction sorbed to airborne particulates (phi): 6.34E-007 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.395 Log Koc: 0.643 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 = 0.500 (BCF = 3.162) log Kow used: 0.93 (estimated) Volatilization from Water: Henry LC: 3.24E-006 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 166.7 hours (6.945 days) Half-Life from Model Lake : 1895 hours (78.96 days) Removal In Wastewater Treatment: Total removal: 2.06 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.79 percent Total to Air: 0.18 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.157 1.03 1000 Water 45 360 1000 Soil 54.8 720 1000 Sediment 0.0889 3.24e+003 0 Persistence Time: 343 hr
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