4-Methyl-2-pentyne
- Formula: C6H10
- Molecular weight: 82.1436
- IUPAC Standard InChIKey: SLMFWJQZLPEDDU-UHFFFAOYSA-N
- CAS Registry Number: 21020-27-9
- 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: 2-Pentyne, 4-methyl-
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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: Glushko Thermocenter, Russian Academy of Sciences, Moscow
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.05 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. |
62.94 | 100. | ||
79.64 | 150. | ||
94.45 | 200. | ||
116.61 | 273.15 | ||
124.44 | 298.15 | ||
125.02 | 300. | ||
155.67 | 400. | ||
182.81 | 500. | ||
205.86 | 600. | ||
225.48 | 700. | ||
242.37 | 800. | ||
257.00 | 900. | ||
269.69 | 1000. | ||
280.7 | 1100. | ||
290.2 | 1200. | ||
298.5 | 1300. | ||
305.7 | 1400. | ||
312.0 | 1500. |
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 | 346. | K | N/A | Farchan Laboratories, 1990 | BS |
Tboil | 345.9 | K | N/A | Miller, Greenlee, et al., 1954 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 346.28 | K | N/A | Pomerantz, Fookson, et al., 1954 | Uncertainty assigned by TRC = 0.3 K; TRC |
Tboil | 346.15 | K | N/A | Anonymous, 1950 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tboil | 345.4 | K | N/A | Gredy, 1935 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 162.78 | K | N/A | Pomerantz, Fookson, et al., 1954 | Uncertainty assigned by TRC = 0.3 K; TRC |
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 C6H10+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.31 ± 0.05 | EI | Wolkoff, Holmes, et al., 1980 | LLK |
9.346 ± 0.007 | PE | Carlier, Dubois, et al., 1975 | LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C5H7+ | 9.67 ± 0.05 | CH3 | EI | Wolkoff, Holmes, et al., 1980 | 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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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 | NIST Mass Spectrometry Data Center |
NIST MS number | 343718 |
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. | 594. | Soják, Farkas, et al., 1991 | 107. m/0.25 mm/0.40 μm, H2 |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 615. | Zenkevich and Marinichev, 2001 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]
Miller, Greenlee, et al., 1954
Miller, H.M.; Greenlee, K.W.; Derfer, J.M.; Boord, C.E.,
J. Org. Chem., 1954, 19, 1882. [all data]
Pomerantz, Fookson, et al., 1954
Pomerantz, P.; Fookson, A.; Mears, T.W.; Rothberg, S.; Howard, F.L.,
Synthesis and Physical Properties of Several Acetylenic Hydrocarbons,
J. Res. Natl. Bur. Stand. (U. S.), 1954, 52, 51. [all data]
Anonymous, 1950
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 6, Natl. Bur. Stand., 1950. [all data]
Gredy, 1935
Gredy, B.,
Raman effect of organic chemicals a study of isopropylacetylene, isopropylethylene and of some of their derivatives,
Bull. Soc. Chim. Fr., 1935, 2, 1951. [all data]
Wolkoff, Holmes, et al., 1980
Wolkoff, P.; Holmes, J.L.; Lossing, F.P.,
On the formation of cyclopentenium cations from all C6H10+ molecular ion structures,
Can. J. Chem., 1980, 58, 251. [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]
Zenkevich and Marinichev, 2001
Zenkevich, I.G.; Marinichev, A.N.,
Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian),
Zh. Struct. Khim., 2001, 42, 5, 893-902. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Tboil Boiling point Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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