1-Decanol
- Formula: C10H22O
- Molecular weight: 158.2811
- IUPAC Standard InChIKey: MWKFXSUHUHTGQN-UHFFFAOYSA-N
- CAS Registry Number: 112-30-1
- 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. - Species with the same structure:
- Other names: Decyl alcohol; n-Decan-1-ol; n-Decanol; n-Decyl alcohol; Alcohol C10; Alfol 10; Capric alcohol; Caprinic alcohol; Decanol; Nonylcarbinol; Sipol L10; T-148; Decylic Alcohol; Decan-1-ol; Decanol-(1); Agent 504; Antak; Dytol S-91; Decyl, n- alcohol; Lorol 22; Primary decyl alcohol; Royaltac; C 10 alcohol; Epal 10; Royaltac-85; Royaltac M-2; Lorol C10; Nonylcacarbinol; 1-Hydroxydecane; Conol 10N; Kalcohl 10H; NSC 406313; Nacol 10-99
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Gas phase thermochemistry 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -395. ± 10. | kJ/mol | AVG | N/A | Average of 6 values; Individual data points |
Reaction thermochemistry 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: John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C10H21O- + =
By formula: C10H21O- + H+ = C10H22O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1560. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; CIDC at 50 eV 1.0 kcal/mol weaker than metastable value. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1533. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; CIDC at 50 eV 1.0 kcal/mol weaker than metastable value. |
Gas phase ion energetics 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: John E. Bartmess
De-protonation reactions
C10H21O- + =
By formula: C10H21O- + H+ = C10H22O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1560. ± 8.4 | kJ/mol | CIDC | Haas and Harrison, 1993 | gas phase; CIDC at 50 eV 1.0 kcal/mol weaker than metastable value. |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1533. ± 8.8 | kJ/mol | H-TS | Haas and Harrison, 1993 | gas phase; CIDC at 50 eV 1.0 kcal/mol weaker than metastable value. |
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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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 | NIST Mass Spectrometry Data Center, 2010 |
NIST MS number | 374910 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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.
Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G.,
The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols,
Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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