1-Undecyne
- Formula: C11H20
- Molecular weight: 152.2765
- IUPAC Standard InChIKey: YVSFLVNWJIEJRV-UHFFFAOYSA-N
- CAS Registry Number: 2243-98-3
- 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-C11H20; undec-1-yne
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Phase change data
Go To: Top, Gas phase ion energetics 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 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 | 469. | K | N/A | Farchan Laboratories, 1990 | BS |
Tboil | 469.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 472.15 | K | N/A | Meunier and Desparmet, 1924 | Uncertainty assigned by TRC = 3. K; TRC |
Tboil | 485.65 | K | N/A | Bruylants, 1875 | Uncertainty assigned by TRC = 4. K; TRC |
Tboil | 473. | K | N/A | Giesecke, 1870 | Uncertainty assigned by TRC = 8. K; TRC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
346. | 0.013 | Farchan Laboratories, 1990 | BS |
Gas phase ion energetics data
Go To: Top, Phase change 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 as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.90 ± 0.02 | PI | Rang and Martinson, 1978 | LLK |
IR Spectrum
Go To: Top, Phase change data, Gas phase ion energetics 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
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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 |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics 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 | Squalane | 80. | 1083. | Soják, Farkas, et al., 1991 | 107. m/0.25 mm/0.40 μm, H2 |
Capillary | OV-101 | 110. | 1112. | Kuningas, Rang, et al., 1990 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 110. | 1084. | Rang, Kuningas, et al., 1976 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 120. | 1084. | Rang, Kuningas, et al., 1976 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 130. | 1084. | Rang, Kuningas, et al., 1976 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Apiezon L | 110. | 1095. | Rang, Kuningas, et al., 1976 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Apiezon L | 130. | 1096. | Rang, Kuningas, et al., 1976 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Apiezon L | 150. | 1095. | Rang, Kuningas, et al., 1976 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Apiezon L | 170. | 1096. | Rang, Kuningas, et al., 1976 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG 4000 | 100. | 1334. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 110. | 1333. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 120. | 1333. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 140. | 1332. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 150. | 1332. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 160. | 1331. | Rang, Orav, et al., 1988 | |
Capillary | PEG-20M | 61. | 1307.8 | Orav, Kuningas, et al., 1985 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 70. | 1310. | Orav, Kuningas, et al., 1985 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 70. | 1329.1 | Orav, Kuningas, et al., 1985 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 80. | 1311.6 | Orav, Kuningas, et al., 1985 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | PEG-20M | 80. | 1329.7 | Orav, Kuningas, et al., 1985 | Column length: 100. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 1116. | 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, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5 | 1109. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C (2 min) 3 0C/min -> 200 0C (3 min) 10 0C/min -> 220 0C (8 min) |
Capillary | VF-5 | 1096. | Shivashankar, Roy, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
References
Go To: Top, Phase change data, Gas phase ion energetics 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.
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Meunier and Desparmet, 1924
Meunier, V.C.; Desparmet, E.,
Bull. Soc. Chim. Fr., 1924, 35, 481. [all data]
Bruylants, 1875
Bruylants, G.,
Ber. Dtsch. Chem. Ges., 1875, 8, 411. [all data]
Giesecke, 1870
Giesecke, A.,
Z. Chem., 1870, 13, 430. [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]
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]
Kuningas, Rang, et al., 1990
Kuningas, K.; Rang, S.; Kailas, T.,
Relationship between the structure and retention of n-alkenes and n-alkynes on silicone phases,
J. Chromatogr., 1990, 520, 137-148, https://doi.org/10.1016/0021-9673(90)85094-C
. [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]
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]
Orav, Kuningas, et al., 1985
Orav, A.; Kuningas, K.; Rang, S.; Eisen, O.,
Capillary gas chromatography of n-tridecenes, n-tetradecenes and C10-C14 n-alkynes on polyethylene glycol 20m of different polarity,
Eesti NSV Tead. Akad. Toim. Keem., 1985, 34, 2, 105-113. [all data]
White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S.,
Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211
. [all data]
Shivashankar, Roy, et al., 2012
Shivashankar, S.; Roy, T.K.; Moorthy, P.N.R.,
Headspace solid phase micro extraction and GC/MS analysis of the volatile components in seed and cake of Azadirachta indica A. juss,
Chem. Bull. of Politechnika Univ. Timisoara, Romania, 2012, 57(71), 1, 1-6. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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