3-Heptanol, 3-methyl-
- Formula: C8H18O
- Molecular weight: 130.2279
- IUPAC Standard InChIKey: PQOSNJHBSNZITJ-UHFFFAOYSA-N
- CAS Registry Number: 5582-82-1
- 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: 3-Methyl-3-heptanol; 2-Ethyl-2-hexanol
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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 | 443. | K | N/A | Colonge, Descotes, et al., 1965 | Uncertainty assigned by TRC = 4. K; TRC |
Tboil | 432.55 | K | N/A | Dorough, Glass, et al., 1941 | Uncertainty assigned by TRC = 0.7 K; TRC |
Tboil | 436.05 | K | N/A | Wibaut, Hoog, et al., 1939 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tboil | 436.65 | K | N/A | Van Risseghem, 1930 | Uncertainty assigned by TRC = 3. K; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
12.9 | 359. | A | Stephenson and Malanowski, 1987 | Based on data from 344. to 433. K.; AC |
13.1 | 353. | N/A | Wilhoit and Zwolinski, 1973 | Based on data from 338. to 433. 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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 1010. | Zhao, Wang X.Y., et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 10. K/min; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 1019. | Fu and Wang, 2004 | 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.
Colonge, Descotes, et al., 1965
Colonge, J.; Descotes, G.; Bahurel, Y.,
Primary α-Methyl-α-ethylenic Alcohols,
Bull. Soc. Chim. Fr., 1965, 1965, 619-25. [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]
Wibaut, Hoog, et al., 1939
Wibaut, J.P.; Hoog, H.; Langedijk, S.L.; Overhoff, J.; Smittenberg, J.; Benninga, N.; Bouman, G.P.; van Dijk, H.; Gaade, W.; Geldof, H.; Hackmann, J.Th.; Jonker, E.W.; Paap, T.; Zuiderweg, F.J.,
Study on the Preparation and the Physical Constants of A Number of Alkanes and Cycloalkanes,
Recl. Trav. Chim. Pays-Bas, 1939, 58, 329. [all data]
Van Risseghem, 1930
Van Risseghem, H.,
Bull. Soc. Chim. Belg., 1930, 39, 369. [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]
Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J.,
Physical and thermodynamic properties of aliphatic alcohols,
J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]
Zhao, Wang X.Y., et al., 2006
Zhao, Y.P.; Wang X.Y.; Wang, Z.C.; Lu Y.; Fu, C.X.; Chen, S.Y.,
Essential oil of Actinidia macrosperma, a catnip response kiwi endemic to China,
Journal of Zhejiang University SCIENCE B, 2006, 7, 9, 708-712, https://doi.org/10.1631/jzus.2006.B0708
. [all data]
Fu and Wang, 2004
Fu, S.-P.; Wang, Y.-Q.,
Estimation and prediction of gas chromatographic retention indices of alcohols by molecular electronegativity-distance vector,
J. Chongqing Univ., 2004, 27, 6, 106-109. [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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