- Formula: C8H12
- Molecular weight: 108.1809
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: UEKPKVCWUZMBML-UHFFFAOYSA-N
- CAS Registry Number: 17679-92-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: n-C4H9C«equiv»CCH=CH2; 1-Octene-3-yne
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Phase change data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
|Tboil||407.||K||N/A||Petrov, Kolesova, et al., 1957||Uncertainty assigned by TRC = 3. K|
Reaction thermochemistry data
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Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
3 + =
By formula: 3H2 + C8H12 = C8H18
|rH°||-391. ± 6.3||kJ/mol||Chyd||Flitcroft and Skinner, 1958||liquid phase|
Gas phase ion energetics data
Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C8H12+ (ion structure unspecified)
Ionization energy determinations
|8.83 ± 0.01||PE||Carlier, Mouvier, et al., 1979||LLK|
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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|Owner||NIST Mass Spectrometry Data Center|
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
|Origin||D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY|
|NIST MS number||62310|
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Petrov, Kolesova, et al., 1957
Petrov, A.A.; Kolesova, V.A.; Porfir'eva, Y.I., Conjugated Systems. LXXVIII Raman Spectra and Reactivity of Vinylacetylenic Hydrocarbons, Zh. Obshch. Khim., 1957, 27, 2081-7. [all data]
Flitcroft and Skinner, 1958
Flitcroft, T.L.; Skinner, H.A., Heats of hydrogenation Part 2.-Acetylene derivatives, Trans. Faraday Soc., 1958, 54, 47-53. [all data]
Carlier, Mouvier, et al., 1979
Carlier, P.; Mouvier, G.; Mesnard, D.; Miginiac, L., Etude par spectrometrie de photoelectrons de la structure electronique des phenyl-alcynes conjugues, J. Electron Spectrosc. Relat. Phenom., 1979, 16, 147. [all data]
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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