Propyne C3H4 structure – Flashcards
Flashcard maker : Robert Carter
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental LogP:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Gravity:
- Experimental Refraction Index:
- Experimental Solubility:
- Appearance:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Exposure Limits:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
| Molecular Formula | C3H4 |
| Average mass | 40.064 Da |
| Density | 0.6±0.1 g/cm3 |
| Boiling Point | -28.0±3.0 °C at 760 mmHg |
| Flash Point | -91.1±1.4 °C |
| Molar Refractivity | 13.8±0.3 cm3 |
| Polarizability | 5.5±0.5 10-24cm3 |
| Surface Tension | 19.9±3.0 dyne/cm |
| Molar Volume | 61.8±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: | 0.6±0.1 g/cm3 |
| Boiling Point: | -28.0±3.0 °C at 760 mmHg |
| Vapour Pressure: | 4565.7±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 21.6±0.8 kJ/mol |
| Flash Point: | -91.1±1.4 °C |
| Index of Refraction: | 1.364 |
| Molar Refractivity: | 13.8±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.00 |
| ACD/LogD (pH 5.5): | 1.18 |
| ACD/BCF (pH 5.5): | 4.68 |
| ACD/KOC (pH 5.5): | 105.06 |
| ACD/LogD (pH 7.4): | 1.18 |
| ACD/BCF (pH 7.4): | 4.68 |
| ACD/KOC (pH 7.4): | 105.06 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 5.5±0.5 10-24cm3 |
| Surface Tension: | 19.9±3.0 dyne/cm |
| Molar Volume: | 61.8±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) = 1.04 Log Kow (Exper. database match) = 0.94 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 1.94 (Adapted Stein & Brown method) Melting Pt (deg C): -107.57 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.67E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -102.7 deg C BP (exp database): -23.2 deg C VP (exp database): 4.31E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 5852 log Kow used: 0.94 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 3640 mg/L (25 deg C) Exper. Ref: MCAULIFFE,C (1966) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 9222.7 mg/L Wat Sol (Exper. database match) = 3640.00 Exper. Ref: MCAULIFFE,C (1966) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.61E-002 atm-m3/mole Group Method: 1.12E-002 atm-m3/mole Exper Database: 1.10E-02 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 6.847E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.94 (exp database) Log Kaw used: -0.347 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.287 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7285 Biowin2 (Non-Linear Model) : 0.9198 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1106 (weeks ) Biowin4 (Primary Survey Model) : 3.7899 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5934 Biowin6 (MITI Non-Linear Model): 0.8003 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.7565 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.3929 BioHC Half-Life (days) : 2.4710 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 5.75E+005 Pa (4.31E+003 mm Hg) Log Koa (Koawin est ): 1.287 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 5.22E-012 Octanol/air (Koa) model: 4.75E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.89E-010 Mackay model : 4.18E-010 Octanol/air (Koa) model: 3.8E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 7.1360 E-12 cm3/molecule-sec Half-Life = 1.499 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 17.987 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): 3.03E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 23.74 Log Koc: 1.376 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: 0.94 (expkow database) Volatilization from Water: Henry LC: 0.011 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.6796 hours (40.78 min) Half-Life from Model Lake : 60.49 hours (2.521 days) Removal In Wastewater Treatment: Total removal: 81.20 percent Total biodegradation: 0.03 percent Total sludge adsorption: 0.56 percent Total to Air: 80.61 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 32.2 43.4 1000 Water 64.1 360 1000 Soil 3.58 720 1000 Sediment 0.127 3.24e+003 0 Persistence Time: 97.4 hr
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