3-Heptene, 3-methyl-
- Formula: C8H16
- Molecular weight: 112.2126
- IUPAC Standard InChI: InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h7H,4-6H2,1-3H3/b8-7+
- IUPAC Standard InChIKey: AAUHUDBDDBJONC-BQYQJAHWSA-N
- CAS Registry Number: 7300-03-0
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: 3-Methyl-3-heptene (c,t); 3-Methyl-3-heptene; 2-Hexene, 2-ethyl; 3-Methylhept-3-ene
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- Other data available:
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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 |
|---|---|---|---|---|---|
| Tboil | 394.35 | K | N/A | Obolentsev and Usov, 1947 | Uncertainty assigned by TRC = 1.5 K |
| Tboil | 391.65 | K | N/A | Mannich and Kniss, 1941 | Uncertainty assigned by TRC = 3. K |
| Tboil | 394.15 | K | N/A | Meshcheryakov, 1941 | Uncertainty assigned by TRC = 2. K; from Abstract by Universal Oil Prod. Co. |
| Tboil | 394.25 | K | N/A | Reid, 1938 | Uncertainty assigned by TRC = 0.7 K |
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
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 833. | Elmore, Nisyrios, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
| Capillary | Supelcowax-10 | 840. | Elmore, Nisyrios, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 793. | Barra, Baldovini, et al., 2007 | 50. m/0.2 mm/0.33 μm, He; Program: 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) |
| Capillary | Methyl Silicone | 784. | Zenkevich, 2000 | Program: not specified |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Obolentsev and Usov, 1947
Obolentsev, R.D.; Usov, Yu.N.,
J. Gen. Chem. USSR (Engl. Transl.), 1947, 17, 897. [all data]
Mannich and Kniss, 1941
Mannich, C.; Kniss, E.,
Thermal Decomposition of Oxygen-Free Enamines,
Chem. Ber., 1941, 74B, 1629. [all data]
Meshcheryakov, 1941
Meshcheryakov, A.P.,
Izv. Akad. Nauk SSSR, 1941, 1941, 157. [all data]
Reid, 1938
Reid, R.J.,
, Ph.D. Thesis, Ohio State Univ., Columbus, 1938. [all data]
Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S.,
Analysis of the headspace aroma compounds of walnuts (Juglans regia L.),
Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477
. [all data]
Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L.,
Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE),
Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027
. [all data]
Zenkevich, 2000
Zenkevich, I.G.,
Mutual Correlation between Gas Chromatographic Retention Indices of Unsaturated and Saturated Hydrocarbons found by Molecular Dynamics,
Z. Anal. Chem., 2000, 55, 10, 1091-1097. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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