Benzene, (1-propylnonyl)-
- Formula: C18H30
- Molecular weight: 246.4308
- IUPAC Standard InChI: InChI=1S/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3
- IUPAC Standard InChIKey: RHDHXBLZBVAPTL-UHFFFAOYSA-N
- CAS Registry Number: 2719-64-4
- 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: Dodecane, 4-phenyl-; 4-Phenyldodecane; (1-Propylnonyl)benzene
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Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 249.15 | K | N/A | Petrov, Lapteva, et al., 1944 | Uncertainty assigned by TRC = 2. K |
Mass spectrum (electron ionization)
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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
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| 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 | CONTINENTAL OIL CO., PONCA CITY, OKLA, USA |
| NIST MS number | 34785 |
Gas Chromatography
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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-101 | 185. | 1734. | Lesko, Holotík, et al., 1976 | N2; Column length: 50. m; Column diameter: 0.25 mm |
| Capillary | Apiezon | 200. | 1741. | Schomburg, 1966 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1735. | Peng, Hua, et al., 1992 | 30. m/0.32 mm/1.5 μm, 40. C @ 4. min, 8. K/min; Tend: 280. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1943. | Peng, Hua, et al., 1992 | 30. m/0.53 mm/1. μm, 40. C @ 4. min, 8. K/min, 200. C @ 20. min |
Lee's RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 295.5 | Peterman and Delfino, 1990 | 15. m/0.25 mm/0.25 μm, He; Program: 125 0C (15 min) 1 0C/min -> 131 0C 4 0C/min -> 247 0C 8 0C/min -> 280 0C (15 min) |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Petrov, Lapteva, et al., 1944
Petrov, A.D.; Lapteva, E.I.; Pchelkina, A.I.,
Synthesis and Properties of Some Higher Benzene Homologs,
J. Gen. Chem. USSR (Engl. Transl.), 1944, 14, 495. [all data]
Lesko, Holotík, et al., 1976
Lesko, J.; Holotík, S.; Krupcík, J.; Veselý, V.,
Gas Chromatographic and Mass Spectrometric Analysis of a Commercial Mixture of Phenylalkanes (Detergent Alkylates),
J. Chromatogr., 1976, 119, 293-306, https://doi.org/10.1016/S0021-9673(00)86793-X
. [all data]
Schomburg, 1966
Schomburg, G.,
Gaschromatographische Retentionsdaten und struktur chemischer verbindungen. III. Alkylverzweigte und ungesättigte cyclische Kohlenwasserstoffe,
J. Chromatogr., 1966, 23, 18-41, https://doi.org/10.1016/S0021-9673(01)98653-4
. [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]
Peterman and Delfino, 1990
Peterman, P.H.; Delfino, J.J.,
Identification of isopropylbiphenyl, alkyl diphenylmethanes, diisopropylnaphthalene, linear alkyl benzenes and other polychlorinated biphenyl replacement compounds in effluents, sediments and fish in the Fox River system, Wisconsin,
Biomed. Environ. Mass Spectrom., 1990, 19, 12, 755-770, https://doi.org/10.1002/bms.1200191203
. [all data]
Notes
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- Symbols used in this document:
Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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