3-Nonyne
- Formula: C9H16
- Molecular weight: 124.2233
- IUPAC Standard InChIKey: SRRDSRCWRHKEKU-UHFFFAOYSA-N
- CAS Registry Number: 20184-89-8
- 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: 3-C9H16
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 10.03 ± 0.59 | kcal/mol | Chyd | Rogers, Dagdagan, et al., 1979 |
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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 429. | K | N/A | Farchan Laboratories, 1990 | BS |
Tboil | 429.82 | K | N/A | Otsa, Kudryavtseva, et al., 1980 | Uncertainty assigned by TRC = 0.6 K; no exp. details; not clear whether obs. or literature data; TRC |
Tboil | 425.65 | K | N/A | Vaughn, Vogt, et al., 1934 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 429. | K | N/A | Truchet, 1930 | Uncertainty assigned by TRC = 2. K; TRC |
Tboil | 431.65 | K | N/A | Meunier and Desparmet, 1924 | Uncertainty assigned by TRC = 2. K; TRC |
Reaction 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 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.
Individual Reactions
By formula: 2H2 + C9H16 = C9H20
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -64.69 ± 0.34 | kcal/mol | Chyd | Rogers, Dagdagan, et al., 1979 | liquid phase; solvent: Hexane |
Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C9H16+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.20 ± 0.02 | PI | Rang and Martinson, 1978 | LLK |
9.202 ± 0.005 | PE | Carlier, Dubois, et al., 1975 | LLK |
Mass spectrum (electron ionization)
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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 | Japan AIST/NIMC Database- Spectrum MS-NW-4604 |
NIST MS number | 231048 |
Gas Chromatography
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Squalane | 80. | 916. | Soják, Farkas, et al., 1991 | 107. m/0.25 mm/0.40 μm, H2 |
Capillary | Squalane | 100. | 915. | Rang, Kuningas, et al., 1976 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 110. | 915. | Rang, Kuningas, et al., 1976 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 120. | 914. | Rang, Kuningas, et al., 1976 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 130. | 913. | Rang, Kuningas, et al., 1976 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 90. | 916. | Rang, Kuningas, et al., 1976 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 918. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG 4000 | 100. | 1110. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 110. | 1108. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 120. | 1108. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 80. | 1109. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 70. | 1122.5 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Rogers, Dagdagan, et al., 1979
Rogers, D.W.; Dagdagan, O.A.; Allinger, N.L.,
Heats of hydrogenation and formation of linear alkynes and a molecular mechanics interpretation,
J. Am. Chem. Soc., 1979, 101, 671-676. [all data]
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]
Otsa, Kudryavtseva, et al., 1980
Otsa, E.; Kudryavtseva, L.S.; Eisen, O.G.; Piotrovskaya, E.M.,
Thermodynamic Studies of n-Alkane-n-Alkyne Systems 2. Isobaric Vapor- Liquid Equilibriums,
Monatsh. Chem., 1980, 111, 607-17. [all data]
Vaughn, Vogt, et al., 1934
Vaughn, T.H.; Vogt, R.R.; Nieuwland, J.A.,
A Rapid Catalytic Preparation of Sodamide in Liquid Ammonia and Some of Its Uses in the Preparation of Acetylenic Materials,
J. Am. Chem. Soc., 1934, 56, 2120. [all data]
Truchet, 1930
Truchet, R.,
A Metrhod for the Preparation of Substituted Acetylenic Hydrocarbons,
C. R. Hebd. Seances Acad. Sci., 1930, 191, 854. [all data]
Meunier and Desparmet, 1924
Meunier, V.C.; Desparmet, E.,
Bull. Soc. Chim. Fr., 1924, 35, 481. [all data]
Rang and Martinson, 1978
Rang, S.; Martinson, E.,
Ionization potentials of unsaturated hydrocarbons. 3. n-Alkyunes C8-C12.,
Eesti. NSV Tead. Akad. Toim. Keem., 1978, 44. [all data]
Carlier, Dubois, et al., 1975
Carlier, P.; Dubois, J.E.; Masclet, P.; Mouvier, G.,
Spectres de photoelectrons des alcynes,
J. Electron Spectrosc. Relat. Phenom., 1975, 7, 55. [all data]
Soják, Farkas, et al., 1991
Soják, L.; Farkas, P.; Ostrovský, I.; Janák, J.; Chrétien, J.R.,
Capillary gas chromatography of C5 - C13 branched alkynes on squalane and liquid crystal stationary phases,
J. Chromatogr., 1991, 557, 241-253, https://doi.org/10.1016/S0021-9673(01)87136-3
. [all data]
Rang, Kuningas, et al., 1976
Rang, S.; Kuningas, K.; Orav, A.; Eisen, O.,
Capillary gas chromatography of n-alkynes. I. Retention indices,
J. Chromatogr., 1976, 119, 451-460, https://doi.org/10.1016/S0021-9673(00)86807-7
. [all data]
Orav and Eisen, 1972
Orav, A.; Eisen, O.,
The retention indexes for alkenes, alkynes and cyclenes on capillary columns,
Izv. Akad. Nauk Est. SSR, Khim. Geol., 1972, 21, 1, 39-47. [all data]
Rang, Orav, et al., 1988
Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G.,
Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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