Benzene, heptyl-
- Formula: C13H20
- Molecular weight: 176.2979
- IUPAC Standard InChI: InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3
- IUPAC Standard InChIKey: LBNXAWYDQUGHGX-UHFFFAOYSA-N
- CAS Registry Number: 1078-71-3
- 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: Heptane, 1-phenyl-; Heptane, 1(or 7)-phenyl-; Heptylbenzene; 1-Phenylheptane; n-Heptylbenzene
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
Go To: Top, 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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | Petrocol DH | Ultra-1 | Ultra-1 |
| Column length (m) | 10. | 30. | 100. | 50. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.22 | 0.22 |
| Phase thickness (μm) | 0.25 | 1.5 | 0.5 | 0.33 | 0.33 |
| Tstart (C) | 30. | 40. | 30. | -30. | -30. |
| Tend (C) | 225. | 280. | 220. | 240. | 240. |
| Heat rate (K/min) | 2. | 8. | 1. | 1. | 2. |
| Initial hold (min) | 4. | ||||
| Final hold (min) | |||||
| I | 1337. | 1348. | 1349. | 1344.62 | 1349.17 |
| Reference | Beens, Tijssen, et al., 1998 | Peng, Hua, et al., 1992 | White, Hackett, et al., 1992 | Haynes and Pitzer, 1985 | Haynes and Pitzer, 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Ultra-1 | Ultra-2 | Ultra-2 | Ultra-2 | OV-101 |
| Column length (m) | 50. | 50. | 50. | 50. | 108. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.22 | 0.22 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.33 | 0.33 | 0.33 | 0.33 | 0.2 |
| Tstart (C) | -30. | -30. | -30. | -30. | 35. |
| Tend (C) | 240. | 240. | 240. | 240. | 200. |
| Heat rate (K/min) | 3. | 1. | 2. | 3. | 1. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1351.94 | 1362.93 | 1367.67 | 1370.87 | 1348. |
| Reference | Haynes and Pitzer, 1985 | Haynes and Pitzer, 1985 | Haynes and Pitzer, 1985 | Haynes and Pitzer, 1985 | Hayes and Pitzer, 1981 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Beens, Tijssen, et al., 1998
Beens, J.; Tijssen, R.; Blomberg, J.,
Prediction of comprehensive two-dimensional gas chromatographic separations. A theoretical and practical exercise,
J. Chromatogr. A, 1998, 822, 2, 233-251, https://doi.org/10.1016/S0021-9673(98)00649-9
. [all data]
Peng, Hua, et al., 1992
Peng, C.T.; Hua, R.L.; Maltby, D.,
Prediction of retention indexes. IV. Chain branching in alkylbenzene isomers with C10-13 alkyl chains identified in a scintillator solvent,
J. Chromatogr., 1992, 589, 1-2, 231-239, https://doi.org/10.1016/0021-9673(92)80027-R
. [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]
Haynes and Pitzer, 1985
Haynes, P.C., Jr.; Pitzer, E.W.,
Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1985, 8, 5, 230-242, https://doi.org/10.1002/jhrc.1240080504
. [all data]
Hayes and Pitzer, 1981
Hayes, P.C., Jr.; Pitzer, E.W.,
Kovats indices as a tool in characterizing hydrocarbon fuels in temperature programmed glass capillary gas chromatography. Part 1. Qualitative identification, Inhouse rpt. for Air Force Wright Aeronautical Labs., Air Force Wright Aeronautical Labs., Wright-Patterson AFB, Ohio, 1981, 75. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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