Cyclopropylacetylene C5H6 structure – Flashcards
Flashcard maker : Gracie Stone
Contents
| Molecular Formula | C5H6 |
| Average mass | 66.101 Da |
| Density | 0.9±0.1 g/cm3 |
| Boiling Point | 31.4±7.0 °C at 760 mmHg |
| Flash Point | -44.6±12.3 °C |
| Molar Refractivity | 20.9±0.4 cm3 |
| Polarizability | 8.3±0.5 10-24cm3 |
| Surface Tension | 28.4±5.0 dyne/cm |
| Molar Volume | 77.1±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: | 31.4±7.0 °C at 760 mmHg |
| Vapour Pressure: | 604.5±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 26.5±0.8 kJ/mol |
| Flash Point: | -44.6±12.3 °C |
| Index of Refraction: | 1.455 |
| Molar Refractivity: | 20.9±0.4 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.36 |
| ACD/LogD (pH 5.5): | 1.55 |
| ACD/BCF (pH 5.5): | 8.90 |
| ACD/KOC (pH 5.5): | 166.46 |
| ACD/LogD (pH 7.4): | 1.55 |
| ACD/BCF (pH 7.4): | 8.90 |
| ACD/KOC (pH 7.4): | 166.46 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 8.3±0.5 10-24cm3 |
| Surface Tension: | 28.4±5.0 dyne/cm |
| Molar Volume: | 77.1±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) = 1.84 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 59.42 (Adapted Stein & Brown method) Melting Pt (deg C): -70.55 (Mean or Weighted MP) VP(mm Hg,25 deg C): 215 (Mean VP of Antoine & Grain methods) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1064 log Kow used: 1.84 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 2057.7 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.25E-002 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 1.757E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.84 (KowWin est) Log Kaw used: -0.292 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 2.132 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) : 0.5674 Biowin6 (MITI Non-Linear Model): 0.7233 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.6355 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.6945 BioHC Half-Life (days) : 4.9490 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 2.83E+004 Pa (212 mm Hg) Log Koa (Koawin est ): 2.132 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1.06E-010 Octanol/air (Koa) model: 3.33E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.83E-009 Mackay model : 8.49E-009 Octanol/air (Koa) model: 2.66E-009 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.1152 E-12 cm3/molecule-sec Half-Life = 1.503 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 18.039 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): 6.16E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 82.53 Log Koc: 1.917 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 = 0.716 (BCF = 5.204) log Kow used: 1.84 (estimated) Volatilization from Water: Henry LC: 0.0125 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 0.8677 hours (52.06 min) Half-Life from Model Lake : 77.64 hours (3.235 days) Removal In Wastewater Treatment: Total removal: 83.06 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.69 percent Total to Air: 82.34 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 28.5 35.9 1000 Water 64.2 360 1000 Soil 7.12 720 1000 Sediment 0.193 3.24e+003 0 Persistence Time: 97.1 hr
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