2-Methyl-1-butene
- Formula: C5H10
- Molecular weight: 70.1329
- IUPAC Standard InChIKey: MHNNAWXXUZQSNM-UHFFFAOYSA-N
- CAS Registry Number: 563-46-2
- 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: 1-Butene, 2-methyl-; γ-Isoamylene; 1-Isoamylene; C2H5C(CH3)=CH2; 2-Methylbutene-1; Isopentene; UN 2371; UN 2459; 2-methylbut-1-ene
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Gas phase thermochemistry data
Go To: Top, IR Spectrum, Gas Chromatography, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -8.39 ± 0.20 | kcal/mol | Eqk | Wiberg and Hao, 1991 | Heat of hydration; ALS |
ΔfH°gas | -8.32 | kcal/mol | N/A | Good and Smith, 1979 | Value computed using ΔfHliquid° value of -60.96±0.84 kj/mol from Good and Smith, 1979 and ΔvapH° value of 26.19 kj/mol from missing citation.; DRB |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
24.610 | 273.15 | McCullough J.P., 1959 | Results of more recent statistical calculation [ Durig J.R., 1980] are different from recommended and experimental values up to 3 J/mol*K for S(T) and Cp(T).; GT |
26.281 | 298.15 | ||
26.410 | 300. | ||
33.200 | 400. | ||
39.400 | 500. | ||
44.720 | 600. | ||
49.259 | 700. | ||
53.150 | 800. | ||
56.520 | 900. | ||
59.431 | 1000. | ||
61.960 | 1100. | ||
64.149 | 1200. | ||
66.049 | 1300. | ||
67.710 | 1400. | ||
69.149 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
27.761 ± 0.084 | 320.66 | Scott D.W., 1949 | GT |
30.681 ± 0.093 | 362.51 | ||
33.61 ± 0.10 | 407.11 | ||
36.60 ± 0.11 | 453.41 | ||
39.52 ± 0.12 | 502.21 |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Download spectrum in JCAMP-DX format.
Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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: 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 | Methyl Silicone | 30. | 495.6 | Soják, Addová, et al., 2002 | He; Column length: 150. m; Column diameter: 0.250 mm |
Capillary | Squalane | 30. | 488.2 | Soják, Addová, et al., 2002 | He; Column length: 93. m; Column diameter: 0.250 mm |
Capillary | OV-101 | 40. | 490. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 60. | 490. | Laub and Purnell, 1988 | |
Capillary | OV-101 | 80. | 491. | Laub and Purnell, 1988 | |
Capillary | DB-1 | 40. | 495. | Lubeck and Sutton, 1984 | 60. m/0.264 mm/0.25 μm, H2 |
Capillary | HP-PONA | 40. | 495. | Lubeck and Sutton, 1984 | 50. m/0.21 mm/0.5 μm, H2 |
Capillary | OV-1 | 20. | 494. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
Capillary | Squalane | 50. | 487.9 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 488.1 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 488.2 | Bajus, Veselý, et al., 1979, 2 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 488.48 | Pacáková and Koslík, 1978 | 50. m/0.2 mm/0.5 μm, N2 |
Packed | Squalane | 80. | 488. | Chrétien and Dubois, 1977 | |
Capillary | Squalane | 50. | 488. | Chretien and Dubois, 1976 | |
Capillary | Squalane | 100. | 493. | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 488. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 488. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 27. | 487.63 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | Squalane | 50. | 487.0 | Takács, Tálas, et al., 1972 | N2, Chromosorb W; Column length: 3. m |
Packed | SE-30 | 75. | 500. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 100. | 500. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
Capillary | Squalane | 40. | 486. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
Packed | Squalane | 27. | 488. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 488. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 489. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 489. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | SE-30 | 70. | 497. | Widmer, 1967 | Diatoport S; Column length: 7.9 m |
Packed | Squalane | 26. | 486. | Zulaïca and Guiochon, 1966 | Column length: 10. m |
Packed | Apiezon L | 130. | 499. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Packed | Apiezon L | 70. | 500. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 496.8 | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
Capillary | DB-1 | 497. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Carbowax 20M | 130. | 545. | Widmer, 1967 | Diatoport P; Column length: 7.9 m |
Packed | Carbowax 20M | 70. | 534. | Widmer, 1967 | Diatoport P; Column length: 7.9 m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 494.4 | Soják, Addová, et al., 2002 | He, 1. K/min; Column length: 150. m; Column diameter: 0.250 mm; Tstart: 30. C; Tend: 200. C |
Capillary | Ultra-1 | 496. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | Petrocol DH | 493.58 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 493.79 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 494. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Squalane | 40. | 487.8 | Sojak, Addova, et al., 2000 | He; Column length: 93. m; Column diameter: 0.25 mm |
Capillary | SE-54 | 50. | 523. | Xieyun, Maoqi, et al., 1996 | N2; Column length: 40. m; Column diameter: 0.25 mm |
Capillary | Methyl Silicone | 50. | 488. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Capillary | Squalane | 70. | 488. | Schomburg, 1966 | |
Packed | Methyl Silicone | 50. | 506. | Huguet, 1961 | Nitrogen, Celite C-22; Column length: 2.5 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 495. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
Capillary | Petrocol DH | 496. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | Ultra-ALLOY-5 | 480. | Tsuge, Ohtan, et al., 2011 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 20. K/min, 320. C @ 13. min |
Capillary | HP-5 MS | 495. | Zenkevich, Makarov A.A., et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 2. K/min, 220. C @ 10. min; Tstart: 50. C |
Capillary | PONA | 493. | Zhang, Ding, et al., 2009 | 50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min |
Capillary | SE-54 | 493. | Guan, Li, et al., 1995 | 60. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C |
Capillary | DB-1 | 495. | Ramnas, Ostermark, et al., 1994 | 50. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: -20. C |
Capillary | DB-1 | 493. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 489. | Chen and Feng, 2007 | Program: not specified |
Capillary | Methyl Silicone | 496. | Blunden, Aneja, et al., 2005 | 60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) |
Capillary | Polydimethyl siloxane | 488. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | PONA | 497. | Perkin Elmer Instruments, 2002 | Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified |
Capillary | CP-Sil5 CB MS | 494. | Tirillini, Verdelli, et al., 2000 | 50. m/0.32 mm/0.4 μm; Program: 0C (3min) => 3C/min => 50C => 5C/min => 220C (30min) |
Capillary | Methyl Silicone | 496. | Spieksma, 1999 | Program: not specified |
Capillary | Methyl Silicone | 494. | Zenkevich, 1996 | Program: not specified |
Packed | SE-30 | 493. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 487. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Packed | SE-30 | 493. | Robinson and Odell, 1971, 2 | Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C) |
Packed | Squalane | 487. | Robinson and Odell, 1971, 2 | Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 575. | Girard and Durance, 2000 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; Tend: 200. C |
References
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg and Hao, 1991
Wiberg, K.B.; Hao, S.,
Enthalpies of hydration of alkenes. 4. Formation of acyclic tert-alcohols,
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Good and Smith, 1979
Good, W.D.; Smith, N.K.,
The enthalpies of combustion of the isomeric pentenes in the liquid state. A warning to combustion calorimetrists about sample drying,
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McCullough J.P., 1959
McCullough J.P.,
Thermodynamic properties, vibrational assignment and rotational conformations of 2-methyl-1-butene,
J. Am. Chem. Soc., 1959, 81, 1331-1334. [all data]
Durig J.R., 1980
Durig J.R.,
Torsional spectra of molecules with two internal C3v rotors. 19. Vibrational spectra, torsional potential functions, and conformational and thermodynamic properties of 2-methyl-1-butene,
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Scott D.W., 1949
Scott D.W.,
Thermodynamic properties of three isomeric pentenes,
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Soják, Addová, et al., 2002
Soják, L.; Addová, G.; Kubinec, R.; Kraus, A.; Hu, G.,
Gas chromatographic-mass spectrometric characterization of all acyclic C5-C7 alkenes from fluid catalytic cracked gasoline using polydimethylsiloxane and squalane stationary phases,
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Laub and Purnell, 1988
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Specific retention volumes, retention indices, and family-plot regressions of aliphatic, alicyclic, and aromatic hydrocarbon solutes with OV-101 poly (dimethylsiloxane) stationary phase,
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Lubeck and Sutton, 1984
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Kovats Retention Indices of Selected Olefins on Bonded Phase Fused Silica Capillaries,
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On-Line Single Run Analysis of Effluents from a Fischer-Tropsch Reactor,
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Steam cracking of hydrocarbons. 2. Pyrolysis of methylcyclohexane,
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Bajus, Veselý, et al., 1979, 2
Bajus, M.; Veselý, V.; Leclercq, P.A.; Rijks, J.A.,
Steam cracking of hydrocarbons. 1. Pyrolysis of heptane,
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Pacáková and Koslík, 1978
Pacáková, V.; Koslík, V.,
Capillary reaction gas chromatography. I. Catalytic decomposition of hydrocarbons,
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Topological analysis of gas-liquid chromatographic behavior of alkenes,
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New Perspectives in the Prediction of Kovats Indices,
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High precision capillary gas chromatography of hydrocarbons,
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Identification by means of retention parameters,
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A system of standard retention indices and its uses. The characterisation of stationary phases and the prediction of retention indices,
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Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data,
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Variation of the retention index with temperature on squalane substrates,
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Analyse des hauts polymères par chromatographie en phase gazeuse de leurs produits de pyrolyse. II. Application à quelques hydrocarbures macromoléculaires purs,
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Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen,
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Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions,
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Speciation and Quantitation of Hydrocarbons in Gasoline Engine Exhaust,
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Characterization of synthetic gasoline from the chloromethane-zeolite reaction,
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Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
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GC-MS characterization of all acyclic C5-C7 alkenes from FCC gasoline using squalane stationary phase,
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Gas Chromatographic analysis during the process of heptaldehyde production using 1-hexene,
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Schomburg, G.,
Gaschromatographische Retentionsdaten und Struktur Chemischer Verbindungen. II. Methylverzweigungen und Doppelbindungen in Offenkettigen Kohlenwasserstoffen,
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Huguet, M.,
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Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
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Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
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A new version of an additive scheme for the prediction of gas chromatographic retention indices of the 211 structural isomers of 4-nonylphenol,
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Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T.,
Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline,
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Guan, Y.; Li, L.; Zhou, L.,
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Notes
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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