Heptane, 4-ethyl-
- Formula: C9H20
- Molecular weight: 128.2551
- IUPAC Standard InChIKey: XMROPFQWHHUFFS-UHFFFAOYSA-N
- CAS Registry Number: 2216-32-2
- 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: 4-Ethylheptane
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Phase change data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), References, Notes
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 | 414.35 | K | N/A | Butler, 1941 | Uncertainty assigned by TRC = 0.7 K; TRC |
Tboil | 414.55 | K | N/A | Brooks, Cleaton, et al., 1937 | Uncertainty assigned by TRC = 1. K; identiy uncertain; TRC |
Tboil | 411.65 | K | N/A | Oberreit, 1896 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 44.1 | kJ/mol | N/A | Labbauf, Greenshields, et al., 1961 | AC |
IR Spectrum
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, IR Spectrum, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | Japan AIST/NIMC Database- Spectrum MS-NW-3490 |
NIST MS number | 227575 |
References
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Butler, 1941
Butler, J.M.,
, Ph.D. Thesis, Ohio State Univ., Columbus, OH, 1941. [all data]
Brooks, Cleaton, et al., 1937
Brooks, D.B.; Cleaton, R.B.; Carter, F.R.,
Paraffin Hydrocarbons Isolated from Crude Synthetic Isooctane (2,2,4-Trimethylpentane),
J. Res. Natl. Bur. Stand. (U. S.), 1937, 19, 319. [all data]
Oberreit, 1896
Oberreit, E.,
Chem. Ber., 1896, 29, 1998. [all data]
Labbauf, Greenshields, et al., 1961
Labbauf, A.; Greenshields, J.B.; Rossini, F.D.,
Heats of formation, combustion, and vaporization of the 35 nonanes and 75 decanes,
J. Chem. Eng. Data, 1961, 6, 261-263. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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