Benzene, hexyl-
- Formula: C12H18
- Molecular weight: 162.2713
- IUPAC Standard InChIKey: LTEQMZWBSYACLV-UHFFFAOYSA-N
- CAS Registry Number: 1077-16-3
- 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: Hexane, 1-phenyl-; Hexylbenzene; 1-Phenylhexane; n-Hexylbenzene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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-5 | DB-5 | DB-5 | DB-1 | PONA |
Column length (m) | 30. | 30. | 30. | 10. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
Tstart (C) | 40. | 40. | 40. | 30. | 35. |
Tend (C) | 310. | 310. | 310. | 225. | 220. |
Heat rate (K/min) | 2. | 4. | 6. | 2. | 1. |
Initial hold (min) | 0.5 | ||||
Final hold (min) | 8. | ||||
I | 1254.6 | 1258.4 | 1260.9 | 1233. | 1245.2 |
Reference | Song, Lai, et al., 2003 | Song, Lai, et al., 2003 | Song, Lai, et al., 2003 | Beens, Tijssen, et al., 1998 | Martos, Saraullo, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PONA | OV-1 | DB-5 | DB-5 | DB-5 |
Column length (m) | 50. | 30. | 30. | 30. | |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 35. | 35. | 40. | 40. | 40. |
Tend (C) | 220. | 300. | 310. | 310. | 310. |
Heat rate (K/min) | 1. | 8. | 2. | 4. | 6. |
Initial hold (min) | 0.5 | ||||
Final hold (min) | 8. | ||||
I | 1247.2 | 1247.3 | 1254.6 | 1258.4 | 1260.9 |
Reference | Martos, Saraullo, et al., 1997 | Gautzsch and Zinn, 1996 | Lai and Song, 1995 | Lai and Song, 1995 | Lai and Song, 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | Petrocol DH | Ultra-1 | Ultra-1 |
Column length (m) | 60. | 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) | 1.0 | 1.5 | 0.5 | 0.33 | 0.33 |
Tstart (C) | 40. | 40. | 30. | -30. | -30. |
Tend (C) | 260. | 280. | 220. | 240. | 240. |
Heat rate (K/min) | 2. | 8. | 1. | 1. | 2. |
Initial hold (min) | 5. | 4. | |||
Final hold (min) | 60. | ||||
I | 1257. | 1254. | 1247. | 1241.23 | 1245.30 |
Reference | Yu, Lin, et al., 1994 | 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 | 1248.08 | 1259.18 | 1263.43 | 1266.48 | 1244. |
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.
Song, Lai, et al., 2003
Song, C.; Lai, W.-C.; Madhusudan Reddy, K.; Wei, B.,
Chapter 7. Temperature-programmed retention indices for GC and GC-MS of hydrocarbon fuels and simulated distillation GC of heavy oils
in Analytical advances for hydrocarbon research, Hsu,C.S., ed(s)., Kluwer Academic/Plenum Publishers, New York, 2003, 147-193. [all data]
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]
Martos, Saraullo, et al., 1997
Martos, P.A.; Saraullo, A.; Pawliszyn, J.,
Estimation of air/coating distribution coefficients for solid phase microextraction using retention indexes from linear temperature-programmed capillary gas chromatography. Application to the sampling and analysis of total petroleum hydrocarbons in air,
Anal. Chem., 1997, 69, 3, 402-408, https://doi.org/10.1021/ac960633p
. [all data]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [all data]
Lai and Song, 1995
Lai, W.-C.; Song, C.,
Temperature-programmed retention indices for g.c. and g.c.-m.s. analysis of coal- and petroleum-derived liquid fuels,
Fuel, 1995, 74, 10, 1436-1451, https://doi.org/10.1016/0016-2361(95)00108-H
. [all data]
Yu, Lin, et al., 1994
Yu, T.-H.; Lin, L.-Y.; Ho, C.-T.,
Volatile compounds of blanched, fried blanched, and baked blanched garlic slices,
J. Agric. Food Chem., 1994, 42, 6, 1342-1347, https://doi.org/10.1021/jf00042a018
. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.