Ethoxyethene C4H8O structure – Flashcards
Flashcard maker : Carmen Dawson
Contents
| Molecular Formula | C4H8O |
| Average mass | 72.106 Da |
| Density | 0.8±0.1 g/cm3 |
| Boiling Point | 32.5±9.0 °C at 760 mmHg |
| Flash Point | -45.6±0.0 °C |
| Molar Refractivity | 22.1±0.3 cm3 |
| Polarizability | 8.7±0.5 10-24cm3 |
| Surface Tension | 18.8±3.0 dyne/cm |
| Molar Volume | 96.0±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: | 0.8±0.1 g/cm3 |
| Boiling Point: | 32.5±9.0 °C at 760 mmHg |
| Vapour Pressure: | 581.4±0.1 mmHg at 25°C |
| Enthalpy of Vaporization: | 26.6±3.0 kJ/mol |
| Flash Point: | -45.6±0.0 °C |
| Index of Refraction: | 1.376 |
| Molar Refractivity: | 22.1±0.3 cm3 |
| #H bond acceptors: | 1 |
| #H bond donors: | 0 |
| #Freely Rotating Bonds: | 2 |
| #Rule of 5 Violations: | 0 |
| ACD/LogP: | 1.04 |
| ACD/LogD (pH 5.5): | 0.97 |
| ACD/BCF (pH 5.5): | 3.20 |
| ACD/KOC (pH 5.5): | 80.04 |
| ACD/LogD (pH 7.4): | 0.97 |
| ACD/BCF (pH 7.4): | 3.20 |
| ACD/KOC (pH 7.4): | 80.04 |
| Polar Surface Area: | 9 Å2 |
| Polarizability: | 8.7±0.5 10-24cm3 |
| Surface Tension: | 18.8±3.0 dyne/cm |
| Molar Volume: | 96.0±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) = 0.91 Log Kow (Exper. database match) = 1.04 Exper. Ref: Hansch,C et al. (1995) Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 45.07 (Adapted Stein & Brown method) Melting Pt (deg C): -102.60 (Mean or Weighted MP) VP(mm Hg,25 deg C): 522 (Mean VP of Antoine & Grain methods) MP (exp database): -115.8 deg C BP (exp database): 35.5 deg C VP (exp database): 5.11E+02 mm Hg at 25 deg C Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1.741e+004 log Kow used: 1.04 (expkow database) no-melting pt equation used Water Sol (Exper. database match) = 1e+004 mg/L (37 deg C) Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 47866 mg/L Wat Sol (Exper. database match) = 10000.00 Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Vinyl/Allyl Ethers Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 7.61E-003 atm-m3/mole Group Method: 5.60E-003 atm-m3/mole Exper Database: 5.39E-03 atm-m3/mole Henrys LC [VP/WSol estimate using EPI values]: 2.845E-003 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 1.04 (exp database) Log Kaw used: -0.657 (exp database) Log Koa (KOAWIN v1.10 estimate): 1.697 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.3659 Biowin2 (Non-Linear Model) : 0.1908 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.0312 (weeks ) Biowin4 (Primary Survey Model) : 3.7340 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5675 Biowin6 (MITI Non-Linear Model): 0.7050 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3047 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 6.81E+004 Pa (511 mm Hg) Log Koa (Koawin est ): 1.697 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 4.4E-011 Octanol/air (Koa) model: 1.22E-011 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1.59E-009 Mackay model : 3.52E-009 Octanol/air (Koa) model: 9.77E-010 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 40.3634 E-12 cm3/molecule-sec Half-Life = 0.265 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 3.180 Hrs Ozone Reaction: OVERALL Ozone Rate Constant = 0.875000 E-17 cm3/molecule-sec Half-Life = 1.310 Days (at 7E11 mol/cm3) Half-Life = 31.433 Hrs Fraction sorbed to airborne particulates (phi): 2.56E-009 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 4.395 Log Koc: 0.643 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 = 0.101 (BCF = 1.261) log Kow used: 1.04 (expkow database) Volatilization from Water: Henry LC: 0.00539 atm-m3/mole (Henry experimental database) Half-Life from Model River: 0.9588 hours (57.53 min) Half-Life from Model Lake : 81.66 hours (3.403 days) Removal In Wastewater Treatment: Total removal: 68.24 percent Total biodegradation: 0.04 percent Total sludge adsorption: 0.76 percent Total to Air: 67.44 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 2.22 1.39 1000 Water 88.4 360 1000 Soil 9.25 720 1000 Sediment 0.178 3.24e+003 0 Persistence Time: 71.7 hr
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