Acetic acid ethenyl ester
- Formula: C4H6O2
- Molecular weight: 86.0892
- IUPAC Standard InChI: InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
- IUPAC Standard InChIKey: XTXRWKRVRITETP-UHFFFAOYSA-N
- CAS Registry Number: 108-05-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Acetic acid vinyl ester; Vinyl acetate; Vinyl A monomer; VyAc; 1-Acetoxyethylene; CH3CO2CH=CH2; Ethenyl acetate; Ethenyl ethanoate; Acetate de vinyle; Ethanoic acid, ethenyl ester; Octan winylu; Vinile (acetato di); Vinyl acetate h.q.; Vinyl ethanoate; Vinylacetaat; Vinylacetat; Vinyle (acetate de); Zeset T; Acetic acid, ethylene ether; VAC; Vinylester kyseliny octove; Vinyl ester of acetic acid; Everflex 81L; Plyamul 40305-00; Unocal 76 Res 6206; Unocal 76 Res S-55; Vinnapas A 50; Vinyl acetate monomer; Acetoxyethene; NSC 8404
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -74.95 | kcal/mol | N/A | Vilcu and Perisanu, 1980 | Value computed using ΔfHliquid° value of -350.8 kj/mol from Vilcu and Perisanu, 1980 and ΔvapH° value of 37.2±0.84 kj/mol from missing citation.; DRB |
| ΔfH°gas | -73.8 ± 2.4 | kcal/mol | N/A | Vilcu and Perisanu, 1980 | Value computed using ΔfHliquid° value of -346±10 kj/mol from Vilcu and Perisanu, 1980 and ΔvapH° value of 37.2±0.84 kj/mol from missing citation.; DRB |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 12.64 | 100. | Kudchadker S.A., 1975 | GT |
| 17.91 | 200. | ||
| 22.17 | 273.15 | ||
| 23.66 | 298.15 | ||
| 23.77 | 300. | ||
| 29.567 | 400. | ||
| 34.649 | 500. | ||
| 38.901 | 600. | ||
| 42.440 | 700. | ||
| 45.418 | 800. | ||
| 47.947 | 900. | ||
| 50.105 | 1000. | ||
| 51.955 | 1100. | ||
| 53.547 | 1200. | ||
| 54.919 | 1300. | ||
| 56.107 | 1400. | ||
| 57.139 | 1500. |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -83.84 | kcal/mol | Chyd | Vilcu and Perisanu, 1980 | ALS |
| ΔfH°liquid | -82.7 ± 2.5 | kcal/mol | Ccb | Vilcu and Perisanu, 1980 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -498.5 ± 2.5 | kcal/mol | Ccb | Vilcu and Perisanu, 1980 | Corresponding ΔfHºliquid = -82.66 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 40.51 | 298. | Bengough and Thomson, 1959 | Mean value 23 to 50°C.; DH |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
- GAS (100 mmHg, N2 ADDED, TOTAL PRESSURE 600 mmHg); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 2 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1333, 10% IN CS2 FOR 1333-400 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Vilcu and Perisanu, 1980
Vilcu, R.; Perisanu, S.,
The ideal gas state enthalpies of formation of some monomers,
Rev. Roum. Chim., 1980, 25, 619-624. [all data]
Kudchadker S.A., 1975
Kudchadker S.A.,
Thermodynamic properties of oxygen compounds. I. Vinyl acetate,
Thermochim. Acta, 1975, 11, 361-365. [all data]
Bengough and Thomson, 1959
Bengough, W.I.; Thomson, R.A.M.,
A dilatometric method of measuring the heats of radiation-induced reactions. Part 2.- The heat of photochemical addition of bromotrichloromethane to vinyl acetate,
Trans. Faraday Soc., 1959, 55, 268-271. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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