Cyclopentylethyne C7H10 structure – Flashcards
Flashcard maker : Jacob Patel
Contents
| Molecular Formula | C7H10 |
| Average mass | 94.154 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 98.0±7.0 °C at 760 mmHg |
| Flash Point | -1.4±12.3 °C |
| Molar Refractivity | 30.2±0.4 cm3 |
| Polarizability | 12.0±0.5 10-24cm3 |
| Surface Tension | 29.5±5.0 dyne/cm |
| Molar Volume | 110.7±5.0 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: | 98.0±7.0 °C at 760 mmHg |
| Vapour Pressure: | 46.8±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 32.3±0.8 kJ/mol |
| Flash Point: | -1.4±12.3 °C |
| Index of Refraction: | 1.458 |
| Molar Refractivity: | 30.2±0.4 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.49 |
| ACD/LogD (pH 5.5): | 2.53 |
| ACD/BCF (pH 5.5): | 49.18 |
| ACD/KOC (pH 5.5): | 565.74 |
| ACD/LogD (pH 7.4): | 2.53 |
| ACD/BCF (pH 7.4): | 49.18 |
| ACD/KOC (pH 7.4): | 565.74 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 12.0±0.5 10-24cm3 |
| Surface Tension: | 29.5±5.0 dyne/cm |
| Molar Volume: | 110.7±5.0 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) = 2.82 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 112.96 (Adapted Stein & Brown method) Melting Pt (deg C): -47.17 (Mean or Weighted MP) VP(mm Hg,25 deg C): 25.3 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 137.3 log Kow used: 2.82 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 638.78 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.20E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.283E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.82 (KowWin est) Log Kaw used: -0.046 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.866 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7027 Biowin2 (Non-Linear Model) : 0.8418 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.9911 (weeks ) Biowin4 (Primary Survey Model) : 3.7119 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5234 Biowin6 (MITI Non-Linear Model): 0.6511 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3955 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.8721 BioHC Half-Life (days) : 7.4482 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3.17E+003 Pa (23.8 mm Hg) Log Koa (Koawin est ): 2.866 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.45E-010 Octanol/air (Koa) model: 1.8E-010 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.41E-008 Mackay model : 7.56E-008 Octanol/air (Koa) model: 1.44E-008 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 12.4958 E-12 cm3/molecule-sec Half-Life = 0.856 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.272 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.003000 E-17 cm3/molecule-sec Half-Life = 382.000 Days (at 7E11 mol/cm3) Fraction sorbed to airborne particulates (phi): 5.49E-008 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 280.7 Log Koc: 2.448 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 = 1.473 (BCF = 29.69) log Kow used: 2.82 (estimated) Volatilization from Water: Henry LC: 0.022 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.016 hours Half-Life from Model Lake : 92.45 hours (3.852 days) Removal In Wastewater Treatment: Total removal: 89.66 percent Total biodegradation: 0.03 percent Total sludge adsorption: 2.04 percent Total to Air: 87.59 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 17.3 20.5 1000 Water 59 360 1000 Soil 23 720 1000 Sediment 0.71 3.24e+003 0 Persistence Time: 105 hr
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