3-Butenenitrile
- Formula: C4H5N
- Molecular weight: 67.0892
- IUPAC Standard InChI: InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2
- IUPAC Standard InChIKey: SJNALLRHIVGIBI-UHFFFAOYSA-N
- CAS Registry Number: 109-75-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: β-Butenonitrile; Allyl cyanide; Allylnitrile; Propene-3-nitrile; Vinylacetonitrile; 1-Butene-4-nitrile; 3-Butenonitrile; 3-Butenylnitrile; 3-Cyano-1-propene; 3-Cyanopropene; CH2=CHCH2CN; Acetonitrile, vinyl-; TL 350; Allylkyanid; NSC 2583; but-3-enenitrile
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Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 392.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 391. | K | N/A | American Tokyo Kasei, 1988 | BS |
| Tboil | 391.7 | K | N/A | Majer and Svoboda, 1985 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 40.09 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
| ΔvapH° | 40.0 | kJ/mol | V | Konicek, Prochzka, et al., 1969 | ALS |
| ΔvapH° | 40.0 | kJ/mol | N/A | Konicek, Prochzka, et al., 1969 | DRB |
| ΔvapH° | 40.0 | kJ/mol | N/A | Konicek, Prochzka, et al., 1969 | AC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 34.26 | 391.7 | N/A | Majer and Svoboda, 1985 | |
| 40.3 | 308. | A | Stephenson and Malanowski, 1987 | Based on data from 293. - 417. K.; AC |
| 41.6 | 268. | N/A | Stull, 1947 | Based on data from 254. - 392. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
| Temperature (K) | A | B | C | Reference | Comment |
|---|---|---|---|---|---|
| 253.6 - 392. | 4.38253 | 1526.272 | -43.316 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
References
Go To: Top, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
American Tokyo Kasei, 1988
American Tokyo Kasei,
TCI American Organic Chemical 88/89 Catalog, American Tokyo Kasei, Portland, OR, 1988, 1610. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Konicek, Prochzka, et al., 1969
Konicek, J.; Prochzka, M.; Krestanov, V.; Smisek, M.,
Thermochemie der nitrile I. Über die bildungswärmen aliphatischer nitrile,
Collect. Czech. Chem. Commun., 1969, 34, 2249-2257. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Notes
Go To: Top, Phase change data, References
- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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