2H-Pyran-2-one, 6-hexyltetrahydro-
- Formula: C11H20O2
- Molecular weight: 184.2753
- IUPAC Standard InChI: InChI=1S/C11H20O2/c1-2-3-4-5-7-10-8-6-9-11(12)13-10/h10H,2-9H2,1H3
- IUPAC Standard InChIKey: YZRXRLLRSPQHDK-UHFFFAOYSA-N
- CAS Registry Number: 710-04-3
- 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: δ-Hexylvalerolactone; δ-Hexyl-δ-valerolactone; δ-Undecalactone; 5-Hydroxyundecanoic acid lactone; 5-Hydroxy-n-undecanoic acid δ-lactone; 6-Hexyltetrahydro-2H-pyran-2-one; 2H-Pyran-2-one, tetrahydro-3-hexyl-; Undecanoic acid, 5-hydroxy-, δ-lactone; Undecanolide-1,5; δ-Undecanolide; Undecan-5-olide; 5-Undecanolide; β-Undecalactone; Undecanolactone
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Condensed phase thermochemistry data
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: Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| S°liquid | 88.31 | cal/mol*K | N/A | Lebedev, Yevstropov, et al., 1981 | |
| S°liquid | 88.31 | cal/mol*K | N/A | Lebedev, Yevstropov, et al., 1981, 2 |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 81.91 | 298.15 | Lebedev, Yevstropov, et al., 1981 | T = 13.8 to 388 K. 0.92 mole % impurity in sample. |
| 81.91 | 298.15 | Lebedev, Yevstropov, et al., 1981, 2 | T = 13.8 to 388 K. 0.92 mole % impurity in sample. |
Phase change data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Reduced pressure boiling point
| Tboil (K) | Pressure (atm) | Reference | Comment |
|---|---|---|---|
| 426.7 | 0.014 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of phase transition
| ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 0.8031 | 250.2 | crystaline, II | crystaline, I | Lebedev, Yevstropov, et al., 1981 | DH |
| 3.0139 | 275.33 | crystaline, I | liquid | Lebedev, Yevstropov, et al., 1981 | DH |
| 0.8031 | 250.2 | crystaline, II | crystaline, I | Lebedev, Yevstropov, et al., 1981, 2 | DH |
| 3.0139 | 275.33 | crystaline, I | liquid | Lebedev, Yevstropov, et al., 1981, 2 | DH |
Entropy of phase transition
| ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
|---|---|---|---|---|---|
| 3.20 | 250.2 | crystaline, II | crystaline, I | Lebedev, Yevstropov, et al., 1981 | DH |
| 10.9 | 275.33 | crystaline, I | liquid | Lebedev, Yevstropov, et al., 1981 | DH |
| 3.20 | 250.2 | crystaline, II | crystaline, I | Lebedev, Yevstropov, et al., 1981, 2 | DH |
| 10.9 | 275.33 | crystaline, I | liquid | Lebedev, Yevstropov, et al., 1981, 2 | DH |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, Phase change data, 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
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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 | Japan AIST/NIMC Database- Spectrum MS-NW-3938 |
| NIST MS number | 232511 |
References
Go To: Top, Condensed phase thermochemistry data, Phase change 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.
Lebedev, Yevstropov, et al., 1981
Lebedev, B.V.; Yevstropov, A.A.; Kiparisova, Ye.G.,
Thermodynamics of undecanolactone, tridecanolactone, and pentadecanolactone from 0 to 340 K,
J. Chem. Thermodyn., 1981, 13, 1185-1204. [all data]
Lebedev, Yevstropov, et al., 1981, 2
Lebedev, B.V.; Yevstropov, A.A.; Kiparisova, Y.G.,
Thermodynamic properties of undecanolactone over the range, 1981, Termodin. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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