Cyclopentadiene C5H6 structure – Flashcards
Flashcard maker : Joel Boykin
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Solubility:
- Appearance:
- Stability:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Lee):
- Retention Index (Normal Alkane):
| Molecular Formula | C5H6 |
| Average mass | 66.101 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 41.5±0.0 °C at 760 mmHg |
| Flash Point | -32.2±13.0 °C |
| Molar Refractivity | 22.3±0.3 cm3 |
| Polarizability | 8.8±0.5 10-24cm3 |
| Surface Tension | 34.9±3.0 dyne/cm |
| Molar Volume | 75.3±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: | 0.9±0.1 g/cm3 |
| Boiling Point: | 41.5±0.0 °C at 760 mmHg |
| Vapour Pressure: | 418.5±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 27.4±0.8 kJ/mol |
| Flash Point: | -32.2±13.0 °C |
| Index of Refraction: | 1.503 |
| Molar Refractivity: | 22.3±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.79 |
| ACD/LogD (pH 5.5): | 2.17 |
| ACD/BCF (pH 5.5): | 26.16 |
| ACD/KOC (pH 5.5): | 360.02 |
| ACD/LogD (pH 7.4): | 2.17 |
| ACD/BCF (pH 7.4): | 26.16 |
| ACD/KOC (pH 7.4): | 360.02 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 8.8±0.5 10-24cm3 |
| Surface Tension: | 34.9±3.0 dyne/cm |
| Molar Volume: | 75.3±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) = 2.25 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 69.17 (Adapted Stein & Brown method) Melting Pt (deg C): -91.83 (Mean or Weighted MP) VP(mm Hg,25 deg C): 427 (Mean VP of Antoine & Grain methods) MP (exp database): -85 deg C BP (exp database): 41 deg C VP (exp database): 4.35E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 470.6 log Kow used: 2.25 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1906.3 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.36E-002 atm-m3/mole Group Method: 7.92E-003 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 7.892E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.25 (KowWin est) Log Kaw used: 0.415 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 1.835 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7161 Biowin2 (Non-Linear Model) : 0.8880 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0531 (weeks ) Biowin4 (Primary Survey Model) : 3.7524 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5600 Biowin6 (MITI Non-Linear Model): 0.7247 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.4220 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.5520 BioHC Half-Life (days) : 3.5643 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.8E+004 Pa (435 mm Hg) Log Koa (Koawin est ): 1.835 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.17E-011 Octanol/air (Koa) model: 1.68E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.87E-009 Mackay model : 4.14E-009 Octanol/air (Koa) model: 1.34E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 142.5978 E-12 cm3/molecule-sec Half-Life = 0.075 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.900 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): 3E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 89.71 Log Koc: 1.953 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 = 1.036 (BCF = 10.86) log Kow used: 2.25 (estimated) Volatilization from Water: Henry LC: 0.00792 atm-m3/mole (estimated by Group SAR Method) Half-Life from Model River: 0.8897 hours (53.38 min) Half-Life from Model Lake : 77.88 hours (3.245 days) Removal In Wastewater Treatment: Total removal: 75.85 percent Total biodegradation: 0.04 percent Total sludge adsorption: 1.10 percent Total to Air: 74.71 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 0.789 0.582 1000 Water 74.6 360 1000 Soil 24.2 720 1000 Sediment 0.358 3.24e+003 0 Persistence Time: 84.1 hr
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