Pentanoic acid, cyclohexyl ester
- Formula: C11H20O2
- Molecular weight: 184.2753
- IUPAC Standard InChI: InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3
- IUPAC Standard InChIKey: YLCHTSSXNSNXSW-UHFFFAOYSA-N
- CAS Registry Number: 1551-43-5
- 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: 1-Cyclohexyl pentanoate; Cyclohexyl pentanoate; cyclohexyl valerate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Phase change data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, 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 |
|---|---|---|---|---|---|
| Ttriple | 222.40 | K | N/A | Kabo, Kozyro, et al., 1999 | Uncertainty assigned by TRC = 0.15 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 63.7 ± 0.1 | kJ/mol | C | Paulechka, Zaitsau, et al., 2004 | See also Zaitsau, Verevkin, et al., 2003.; AC |
| ΔvapH° | 67.2 ± 0.8 | kJ/mol | ME | Zaitsau, Verevkin, et al., 2003 | Based on data from 273. to 318. K.; AC |
| ΔvapH° | 63.9 ± 0.4 | kJ/mol | ME | Zaitsau, Verevkin, et al., 2003 | Based on data from 273. to 318. K.; AC |
| ΔvapH° | 62.4 ± 0.7 | kJ/mol | GS | Zaitsau, Verevkin, et al., 2003 | Based on data from 293. to 332. K.; AC |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas Chromatography, NIST Subscription Links, 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
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 | NIST Mass Spectrometry Data Center, 1990. |
| NIST MS number | 113017 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), NIST Subscription Links, 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
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-1 | 1299. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1310. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1595. | Vinogradov, 2004 | Program: not specified |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kabo, Kozyro, et al., 1999
Kabo, G.J. (see Kabo; Kozyro, A.A.; Frenkel, M. (see frenke ml); Blokhin, A.V.,
Solid Phase Transitions of the Cyclohexane Derivatives and the Model of Energy States of Molecules in Plastic Crystals,
Mol. Cryst. Liq. Cryst., 1999, 326, 333-5. [all data]
Paulechka, Zaitsau, et al., 2004
Paulechka, Y.U.; Zaitsau, Dz.H.; Kabo, G.J.,
On the difference between isobaric and isochoric heat capacities of liquid cyclohexyl esters,
Journal of Molecular Liquids, 2004, 115, 2-3, 105-111, https://doi.org/10.1016/j.molliq.2004.03.002
. [all data]
Zaitsau, Verevkin, et al., 2003
Zaitsau, Dzmitry H.; Verevkin, Sergey P.; Paulechka, Yauheni U.; Kabo, Gennady J.; Sevruk, Viktor M.,
Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters,
J. Chem. Eng. Data, 2003, 48, 6, 1393-1400, https://doi.org/10.1021/je025634v
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, References
- Symbols used in this document:
Ttriple Triple point temperature ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.