3-Heptanol, 6-methyl-
- Formula: C8H18O
- Molecular weight: 130.2279
- IUPAC Standard InChI: InChI=1S/C8H18O/c1-4-8(9)6-5-7(2)3/h7-9H,4-6H2,1-3H3
- IUPAC Standard InChIKey: MNBIBGDICHMQFN-UHFFFAOYSA-N
- CAS Registry Number: 18720-66-6
- 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: 6-Methyl-3-heptanol; 2-Methyl-5-heptanol; 6-Methylheptan-3-ol
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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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 442.85 | K | N/A | Henne and Matuszak, 1944 | Uncertainty assigned by TRC = 2. K; TRC |
| Tboil | 431.65 | K | N/A | Dorough, Glass, et al., 1941 | Uncertainty assigned by TRC = 1. K; TRC |
| Tboil | 438.65 | K | N/A | Kondo and Suzuki, 1936 | Uncertainty assigned by TRC = 5. K; TRC |
| Tboil | 438.65 | K | N/A | Buelens, 1908 | Uncertainty assigned by TRC = 5. K; TRC |
| Tboil | 438.65 | K | N/A | Henry, 1906 | Uncertainty assigned by TRC = 5. K; TRC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 11.4 | 348. | A | Stephenson and Malanowski, 1987 | Based on data from 333. to 432. K.; AC |
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
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax FSC | 1398. | Baser, Kirimer, et al., 1997 | He, 60. C @ 10. min, 4. K/min, 240. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax | 1398. | Baser, Kürkcüoglu, et al., 1998 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
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.
Henne and Matuszak, 1944
Henne, A.L.; Matuszak, A.H.,
The Dehydration of Secondary and Tertiary Alcohols,
J. Am. Chem. Soc., 1944, 66, 1649. [all data]
Dorough, Glass, et al., 1941
Dorough, G.L.; Glass, H.B.; Gresham, T.L.; Malone, G.B.; Reid, E.E.,
Structure-property relationships in some isomeric octanols,
J. Am. Chem. Soc., 1941, 63, 3100. [all data]
Kondo and Suzuki, 1936
Kondo; Suzuki,
Chem. Ber., 1936, 69, 2459. [all data]
Buelens, 1908
Buelens, A.,
Recl. Trav. Chim. Pays-Bas, 1908, 28, 113. [all data]
Henry, 1906
Henry, L.,
C. R. Hebd. Seances Acad. Sci., 1906, 143, 102. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Baser, Kirimer, et al., 1997
Baser, K.H.C.; Kirimer, N.; Duman, H.,
Composition of the essential oil of Micromeria dolichodontha P. H. Davis,
Flavour Fragr. J., 1997, 12, 4, 289-291, https://doi.org/10.1002/(SICI)1099-1026(199707)12:4<289::AID-FFJ640>3.0.CO;2-A
. [all data]
Baser, Kürkcüoglu, et al., 1998
Baser, K.H.C.; Kürkcüoglu, M.; Aytac, Z.,
Composition of the essential oil of Salvia euphratica Montbret ex Bentham var. euphratica from Turkey,
Flavour Fragr. J., 1998, 13, 1, 63-64, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<63::AID-FFJ694>3.0.CO;2-Z
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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