1-Butene C4H8 structure – Flashcards
Flashcard maker : Cindy Krause
Contents
| Molecular Formula | C4H8 |
| Average mass | 56.106 Da |
| Density | 0.6±0.1 g/cm3 |
| Boiling Point | -6.0±3.0 °C at 760 mmHg |
| Flash Point | -49.6±9.0 °C |
| Molar Refractivity | 20.3±0.3 cm3 |
| Polarizability | 8.1±0.5 10-24cm3 |
| Surface Tension | 16.4±3.0 dyne/cm |
| Molar Volume | 89.7±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Predicted – Mcule
- 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: | -6.0±3.0 °C at 760 mmHg |
| Vapour Pressure: | 2213.9±0.0 mmHg at 25°C |
| Enthalpy of Vaporization: | 22.1±0.0 kJ/mol |
| Flash Point: | -49.6±9.0 °C |
| Index of Refraction: | 1.371 |
| Molar Refractivity: | 20.3±0.3 cm3 |
| #H bond acceptors: | 0 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 1 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 2.37 |
| ACD/LogD (pH 5.5): | 2.39 |
| ACD/BCF (pH 5.5): | 38.84 |
| ACD/KOC (pH 5.5): | 477.76 |
| ACD/LogD (pH 7.4): | 2.39 |
| ACD/BCF (pH 7.4): | 38.84 |
| ACD/KOC (pH 7.4): | 477.76 |
| Polar Surface Area: | 0 Å2 |
| Polarizability: | 8.1±0.5 10-24cm3 |
| Surface Tension: | 16.4±3.0 dyne/cm |
| Molar Volume: | 89.7±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) = 2.17 Log Kow (Exper. database match) = 2.40 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 17.57 (Adapted Stein & Brown method) Melting Pt (deg C): -121.74 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.86E+003 (Mean VP of Antoine & Grain methods) MP (exp database): -145 deg C BP (exp database): -1.3 deg C VP (exp database): 2.25E+03 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 354.8 log Kow used: 2.40 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 221 mg/L (25 deg C) Exper. Ref: MCAULIFFE,C (1966) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 278 mg/L Wat Sol (Exper. database match) = 221.00 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 : 2.03E-001 atm-m3/mole Group Method: 2.68E-001 atm-m3/mole Exper Database: 2.33E-01 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 1.581E-001 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 2.40 (exp database) Log Kaw used: 0.979 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.421 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8293 Biowin2 (Non-Linear Model) : 0.9830 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3735 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0359 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.6136 Biowin6 (MITI Non-Linear Model): 0.8085 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.2442 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): LOG BioHC Half-Life (days) : 0.4394 BioHC Half-Life (days) : 2.7502 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 3E+005 Pa (2.25E+003 mm Hg) Log Koa (Koawin est ): 1.421 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 1E-011 Octanol/air (Koa) model: 6.47E-012 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 3.61E-010 Mackay model : 8E-010 Octanol/air (Koa) model: 5.18E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 27.4013 E-12 cm3/molecule-sec Half-Life = 0.390 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 4.684 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): 5.81E-010 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 43.79 Log Koc: 1.641 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 = 1.148 (BCF = 14.06) log Kow used: 2.40 (expkow database) Volatilization from Water: Henry LC: 0.233 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.7663 hours (45.98 min) Half-Life from Model Lake : 71.17 hours (2.965 days) Removal In Wastewater Treatment (recommended maximum 95%): Total removal: 98.91 percent Total biodegradation: 0.02 percent Total sludge adsorption: 0.85 percent Total to Air: 98.03 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 11.2 6.16 1000 Water 85.5 208 1000 Soil 2.85 416 1000 Sediment 0.439 1.87e+003 0 Persistence Time: 57.1 hr
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