1,3,5,7-Octatetrayne
- Formula: C8H2
- Molecular weight: 98.1015
- IUPAC Standard InChI: InChI=1S/C8H2/c1-3-5-7-8-6-4-2/h1-2H
- IUPAC Standard InChIKey: CDGAYCHXIBGGNI-UHFFFAOYSA-N
- CAS Registry Number: 6165-96-4
- 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. - Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
| Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 46.37 | 50. | Dorofeeva O.V., 1991 | There is an appreciable difference with other statistically calculated values [ Dessau L., 1988] because the authors used the overestimated values of vibrational frequencies, see [ Dorofeeva O.V., 1991]. |
| 65.06 | 100. | ||
| 86.18 | 150. | ||
| 106.03 | 200. | ||
| 128.41 | 273.15 | ||
| 134.4 ± 7.0 | 298.15 | ||
| 134.77 | 300. | ||
| 152.52 | 400. | ||
| 164.72 | 500. | ||
| 174.11 | 600. | ||
| 181.85 | 700. | ||
| 188.42 | 800. | ||
| 194.05 | 900. | ||
| 198.91 | 1000. | ||
| 203.11 | 1100. | ||
| 206.74 | 1200. | ||
| 209.88 | 1300. | ||
| 212.61 | 1400. | ||
| 214.99 | 1500. | ||
| 217.06 | 1600. | ||
| 218.87 | 1700. | ||
| 220.47 | 1800. | ||
| 221.87 | 1900. | ||
| 223.11 | 2000. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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: John E. Bartmess
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.
Individual Reactions
C8H- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1485. ± 21. | kJ/mol | D-EA | Garand, Yacovitch, et al., 2010 | gas phase; Calns says linear H-terminated structure for anion |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1451. ± 21. | kJ/mol | H-TS | Garand, Yacovitch, et al., 2010 | gas phase; Calns says linear H-terminated structure for anion |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes
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:
B - John E. Bartmess
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 9.09 ± 0.02 | PE | Allan, Heilbronner, et al., 1976 | LLK |
De-protonation reactions
C8H- + =
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1485. ± 21. | kJ/mol | D-EA | Garand, Yacovitch, et al., 2010 | gas phase; Calns says linear H-terminated structure for anion; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1451. ± 21. | kJ/mol | H-TS | Garand, Yacovitch, et al., 2010 | gas phase; Calns says linear H-terminated structure for anion; B |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Dorofeeva O.V., 1991
Dorofeeva O.V.,
Thermodynamic properties of linear carbon chain molecules with conjugated triple bonds. Part I. Polyacetylenes, H(CC)nH (n=2-6), cyanopolyacetylenes, H(CC)nCN (n=1-5), and dicyanopolyacetylenes, NC(CC)nCN (n=1-4),
Thermochim. Acta, 1991, 178, 273-286. [all data]
Dessau L., 1988
Dessau L.,
Vibrations and thermodynamic functions of long-chain acetylenes,
Z. Phys. Chem. (Leipzig), 1988, 269, 187-190. [all data]
Garand, Yacovitch, et al., 2010
Garand, E.; Yacovitch, T.I.; Zhou, J.; Sheehan, S.M.; Neumark, D.M.,
Slow photoelectron velocity-map imaging of the CnH- (n=5-9) anions,
Chem. Sci., 2010, 1, 2, 192-201, https://doi.org/10.1039/c0sc00164c
. [all data]
Allan, Heilbronner, et al., 1976
Allan, M.; Heilbronner, E.; Kloster-Jensen, E.; Maier, J.P.,
The {PI}-states of tetraacetylene radical cation,
Chem. Phys. Lett., 1976, 41, 228. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.