Propene C3H6 structure – Flashcards
Flashcard maker : Bernice Cooper
Contents
| Molecular Formula | C3H6 |
| Average mass | 42.080 Da |
| Density | 0.6±0.1 g/cm3 |
| Boiling Point | -47.7±0.0 °C at 760 mmHg |
| Flash Point | -69.5±9.0 °C |
| Molar Refractivity | 15.7±0.3 cm3 |
| Polarizability | 6.2±0.5 10-24cm3 |
| Surface Tension | 13.6±3.0 dyne/cm |
| Molar Volume | 73.1±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: | -47.7±0.0 °C at 760 mmHg |
| Vapour Pressure: | 8476.8±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 18.4±0.0 kJ/mol |
| Flash Point: | -69.5±9.0 °C |
| Index of Refraction: | 1.348 |
| Molar Refractivity: | 15.7±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 0 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.84 |
| ACD/LogD (pH 5.5): | 1.82 |
| ACD/BCF (pH 5.5): | 14.23 |
| ACD/KOC (pH 5.5): | 232.81 |
| ACD/LogD (pH 7.4): | 1.82 |
| ACD/BCF (pH 7.4): | 14.23 |
| ACD/KOC (pH 7.4): | 232.81 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 6.2±0.5 10-24cm3 |
| Surface Tension: | 13.6±3.0 dyne/cm |
| Molar Volume: | 73.1±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) = 1.68 Log Kow (Exper. database match) = 1.77 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): -9.84 (Adapted Stein & Brown method) Melting Pt (deg C): -135.38 (Mean or Weighted MP) VP(mm Hg,25 deg C): 7.04E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -185 deg C BP (exp database): -48 deg C VP (exp database): 8.69E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1162 log Kow used: 1.77 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 200 mg/L (25 deg C) Exper. Ref: MCAULIFFE,C (1966) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 717.99 mg/L Wat Sol (Exper. database match) = 200.00 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 : 1.53E-001 atm-m3/mole Group Method: 1.58E-001 atm-m3/mole Exper Database: 1.96E-01 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 3.621E-002 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.77 (exp database) Log Kaw used: 0.904 (exp database) Log Koa (KOAWIN v1.10 estimate): 0.866 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7275 Biowin2 (Non-Linear Model) : 0.9177 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.1062 (weeks ) Biowin4 (Primary Survey Model) : 3.7870 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6059 Biowin6 (MITI Non-Linear Model): 0.8047 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.5359 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.3730 BioHC Half-Life (days) : 2.3603 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 1.16E+006 Pa (8.69E+003 mm Hg) Log Koa (Koawin est ): 0.866 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 2.59E-012 Octanol/air (Koa) model: 1.8E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 9.35E-011 Mackay model : 2.07E-010 Octanol/air (Koa) model: 1.44E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 26.4360 E-12 cm3/molecule-sec Half-Life = 0.405 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.855 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 1.200000 E-17 cm3/molecule-sec Half-Life = 0.955 Days (at 7E11 mol/cm3) Half-Life = 22.920 Hrs Fraction sorbed to airborne particulates (phi): 1.5E-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 = 0.663 (BCF = 4.602) log Kow used: 1.77 (expkow database) Volatilization from Water: Henry LC: 0.196 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.6639 hours (39.83 min) Half-Life from Model Lake : 61.64 hours (2.568 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.70 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.41 percent Total to Air: 98.27 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 10.7 6.97 1000 Water 87.6 360 1000 Soil 1.47 720 1000 Sediment 0.249 3.24e+003 0 Persistence Time: 70.2 hr
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