Decane, 2-methyl-
- Formula: C11H24
- Molecular weight: 156.3083
- IUPAC Standard InChI: InChI=1S/C11H24/c1-4-5-6-7-8-9-10-11(2)3/h11H,4-10H2,1-3H3
- IUPAC Standard InChIKey: CNPVJWYWYZMPDS-UHFFFAOYSA-N
- CAS Registry Number: 6975-98-0
- 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-Methyldecane; n-C8H17CH(CH3)2
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), 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: Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°liquid | 453.80 | J/mol*K | N/A | Messerly and Finke, 1971 |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 341.21 | 298.15 | Messerly and Finke, 1971 | T = 11 to 390 K. |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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| 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 | NIST Mass Spectrometry Data Center |
| State | gas |
| Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
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 | NIST Mass Spectrometry Data Center, 1990. |
| NIST MS number | 113896 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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: 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 | OV-1 | 60. | 1067. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
| Capillary | Squalane | 86. | 1062.3 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
| Capillary | Squalane | 86. | 1062.3 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 96. | 1064.4 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
| Packed | SE-30 | 110. | 1064. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
| Packed | SE-30 | 120. | 1065. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
| Packed | SE-30 | 130. | 1068. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
| Packed | SE-30 | 140. | 1069. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
| Capillary | Squalane | 100. | 1062. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 50. m; Column diameter: 0.2 mm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 8 CB | 1077. | Schwob, Bessiere, et al., 2004 | 30. m/0.25 mm/0.25 μm, H2, 50. C @ 2. min, 3. K/min; Tend: 220. C |
| Capillary | PTE-5 | 1062. | Gudzic, Dordevic, et al., 2001 | 60. m/0.32 mm/0.39 μm, H2, 4.3 K/min; Tstart: 60. C; Tend: 285. C |
| Capillary | SE-54 | 1064. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
| Capillary | OV-101 | 1065. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
| Capillary | Apiezon L | 1064. | Louis, 1971 | N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1073. | 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 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1076. | Saroglou, Marin, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | DB-5 | 1061. | Pavlovic, Tzakou, et al., 2006 | 30. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | Petrocol DH | 1065.9 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
| Capillary | CP Sil 8 CB | 1059. | Oruna-Concha, Ames, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 8. min, 4. K/min, 250. C @ 10. min |
| Capillary | OV-101 | 1063.9 | Yin, Liu, et al., 2001 | N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C |
| Capillary | Petrocol DH | 1068. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Cross-Linked Methylsilicone | 1065. | Khorasheh, Gray, et al., 1989 | 5. K/min; Tstart: 40. C; Tend: 300. C |
| Capillary | Ultra-1 | 1065.78 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-1 | 1065.56 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-1 | 1065.83 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-2 | 1064.98 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-2 | 1064.93 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-2 | 1065.01 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | OV-101 | 1065. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-52 | 1071. | Bruni, Pellati, et al., 2005 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C(10min) |
| Capillary | DB-5 | 1063. | Zaikin and Borisov, 2002 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: 30C => 5K/min=120C => 10C/min => 270C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Squalane | 100. | 1064. | Lehmkuhl, Olbrysch, et al., 1975 | Nitrogen; Column length: 100. m |
| Capillary | Squalane | 80. | 1064. | Lehmkuhl, Olbrysch, et al., 1975 | Nitrogen; Column length: 100. m |
| Capillary | Apiezon L | 40. to 190. | 1065. | Mann, Mühlstädt, et al., 1967 | Column length: 2. m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 1067. | 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 | HP-5 MS | 1065. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
| Capillary | RTX-1 | 1068. | Dib, Djabou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium, 2. K/min, 230. C @ 30. min; Tstart: 60. C |
| Capillary | PONA | 1066. | 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 | OV-1 | 1065.6 | Krkosova, Kubinec, et al., 2007 | 100. m/0.32 mm/0.25 μm, Helium, 5. K/min, 310. C @ 5. min; Tstart: 30. C |
| Capillary | DB-5 | 1068. | Smelcerovic, Spiteller, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 10. K/min, 320. C @ 4. min; Tstart: 60. C |
| Capillary | HP-5MS | 1069. | Kim, El-Aty, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 5. K/min, 280. C @ 10. min |
| Capillary | DB-5 | 1059. | Ferraz, Limberger, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 3. min, 3. K/min; Tend: 300. C |
| Capillary | HP-5 | 1067. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | DB-5 | 1061. | Schwob, Bessière, et al., 2002 | He, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 60. C; Tend: 220. C |
| Capillary | OV-101 | 1063. | Orav, Kailas, et al., 1999 | 50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1064. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | RTX-1 | 1065. | Dib, Djabou, et al., 2010 | 60. m/0.22 mm/0.25 μm, Helium; Program: not specified |
| Capillary | OV-1 | 1065. | Zhang and Liang, 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (50 min) 2 0C/min -> 90 0C 30 0C/min -> 300 0C (3 min) |
| Capillary | DB-1 | 1058. | Nogueira, Marcelo-Curto, et al., 2008 | 30. m/0.25 mm/0.25 μm, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (10min) |
| Capillary | SE-52 | 1064. | Tognolini, Barocelli, et al., 2006 | 30. m/0.32 mm/0.15 μm, He; Program: 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| Capillary | OV-101 | 1062. | Du and Liang, 2003 | Program: not specified |
| Capillary | HP-5 | 1024. | Timón, Ventanas, et al., 1998 | 50. m/0.32 mm/0.52 μm, He; Program: 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min) |
| Capillary | Squalane | 1063. | Petrov, 1984 | Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1065. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | ZB-Wax | 1057. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | DB-Wax | 1053. | Jiang and Kubota, 2004 | He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, 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.
Messerly and Finke, 1971
Messerly, J.F.; Finke, H.L.,
Low-temperature thermal properties of 2-methylheptane and 2-methyldecane: the thermodynamic properties of the 2-methylalkanes,
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Nijs and Jacobs, 1981
Nijs, H.H.; Jacobs, P.A.,
On-Line Single Run Analysis of Effluents from a Fischer-Tropsch Reactor,
J. Chromatogr. Sci., 1981, 19, 1, 40-45, https://doi.org/10.1093/chromsci/19.1.40
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Nabivach and Kirilenko, 1979
Nabivach, V.M.; Kirilenko, A.V.,
The use of retention indices for identifying the components of crude benzene,
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Nabivach, Bur'yan, et al., 1978
Nabivach, V.M.; Bur'yan, P.; Matsak, I.,
Retention indices of aromatic hydrocarbons on a squalane capillary column,
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Mitra, Mohan, et al., 1974
Mitra, G.D.; Mohan, G.; Sinha, A.,
Advances in the utilization of the retention index system for characterizing hydrocarbons in complex mixtures by gas chromatography,
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Mitra, Mohan, et al., 1974, 2
Mitra, G.D.; Mohan, G.; Sinha, A.,
Gas chromatographic analysis of complex hydrocarbon mixtures,
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Schwob, Bessiere, et al., 2004
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Changes in essential oil composition in Saint John's wort (Hypericum perforatum L.) aerial parts during its phenological cycle,
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Essential oils of Hypericum olympicum L. and Hypericum perforatum L.,
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Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F.,
Volatile components of chickpea (Cicer arietinum L.) seed,
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Hayes and Pitzer, 1982
Hayes, P.C., Jr.; Pitzer, E.W.,
Characterizing petroleum- and shale-derived jet fuel distillates via temperature-programmed Kováts indices,
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Louis, 1971
Louis, R.,
Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen,
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Hoekman, 1993
Hoekman, S.K.,
Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions,
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Composition and antimicrobial activity of the essential oil of six Hypericum species from Serbia,
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Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography,
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Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates,
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Vergleich der Additionsrichtungen von tert.-Butyl und Isopropylverbindungen des Magnesiums, Aluminiums and Lithiums an 1-Alkene,
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HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
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Essential oil composition of Hypericum L. species from Southeastern Serbia and their chemotaxonomy,
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Identification of volatile components in Angelica species using supercritical-CO2 fluid extraction and solid phase microextraction coupled to gas chromatography-mass spectrometry,
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Notes
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