2-Undecanone
- Formula: C11H22O
- Molecular weight: 170.2918
- IUPAC Standard InChIKey: KYWIYKKSMDLRDC-UHFFFAOYSA-N
- CAS Registry Number: 112-12-9
- 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: Ketone, methyl nonyl; Methyl n-nonyl ketone; Methyl nonyl ketone; Nonyl methyl ketone; 2-Hendecanone; Undecanone-(2); Mgk dog & cat repellent; Undecan-2-one; Mgk dog and cat repellent
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 502. ± 5. | K | AVG | N/A | Average of 12 out of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 290. | K | N/A | Vilalta, Hammond, et al., 1993 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 285.3 | K | N/A | Timmermans, 1922 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 687.8 | K | N/A | Pulliam, Gude, et al., 1995 | Uncertainty assigned by TRC = 1.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.44 | mol/l | N/A | Pulliam, Gude, et al., 1995 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 16. | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 16.7 ± 0.1 | kcal/mol | GCC | Saluja, Peacock, et al., 1979 | AC |
ΔvapH° | 16.0 ± 0.098 | kcal/mol | C | Sunner, Svensson, et al., 1979 | ALS |
ΔvapH° | 16.0 ± 0.1 | kcal/mol | C | Sunner, Svensson, et al., 1979 | AC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
379.2 | 0.016 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
12.3 | 476. | A | Stephenson and Malanowski, 1987 | Based on data from 461. to 538. K.; AC |
13.4 | 408. | A | Stephenson and Malanowski, 1987 | Based on data from 393. to 523. K. See also Ambrose, Ellender, et al., 1975.; AC |
14.7 | 350. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 335. to 433. K. See also Meyer and Wagner, 1966.; AC |
11.1 | 506. | N/A | Ambrose, Ellender, et al., 1975 | AC |
14.8 | 356. | N/A | Stull, 1947 | Based on data from 341. to 497. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
341.3 to 497. | 5.5897 | 2558.952 | -39.342 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.879 | 290.5 | Vilalta, Hammond, et al., 1993, 2 | AC |
Henry's Law data
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference |
---|---|---|---|
1.6 | M | Buttery, Ling, et al., 1969 |
IR Spectrum
Go To: Top, Phase change data, Henry's Law data, Mass spectrum (electron ionization), UV/Visible 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
Gas Phase Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
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 | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Henry's Law data, IR Spectrum, UV/Visible 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
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 | Japan AIST/NIMC Database- Spectrum MS-NW- 699 |
NIST MS number | 229461 |
UV/Visible spectrum
Go To: Top, Phase change data, Henry's Law data, 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 by: Victor Talrose, Eugeny B. Stern, Antonina A. Goncharova, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina
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).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
Source | Nowakowska, White, et al., 1988 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 3612 |
Instrument | HP 8451A Spectrophotometer |
Melting point | 15 |
Boiling point | 231.5 |
References
Go To: Top, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Vilalta, Hammond, et al., 1993
Vilalta, P.M.; Hammond, G.S.; Weiss, R.G.,
Determination of the solubilization sites afforded by smectic phases of (perfluorodecyl)decane [F(CF2)10(CH2)10H] to some linear ketones undergoing the Norrish II photoreactions,
Langmuir, 1993, 9, 7, 1910, https://doi.org/10.1021/la00031a046
. [all data]
Timmermans, 1922
Timmermans, J.,
Investigation of the Freezing Point of Organic Substances VII,
Bull. Soc. Chim. Belg., 1922, 31, 389. [all data]
Pulliam, Gude, et al., 1995
Pulliam, M.K.; Gude, M.T.; Teja, A.S.,
Critical Temperatures and Densities of n-Alkanones,
J. Chem. Eng. Data, 1995, 40, 455-8. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Saluja, Peacock, et al., 1979
Saluja, P.P.S.; Peacock, L.A.; Fuchs, R.,
Enthalpies of interaction of aliphatic ketones with polar and nonpolar solvents,
J. Am. Chem. Soc., 1979, 101, 1958-1962. [all data]
Sunner, Svensson, et al., 1979
Sunner, S.; Svensson, Ch.; Zelepuga, A.S.,
Enthalpies of vaporization at 298.15 K for some 2-alkanones and methyl alkanoates,
J. Chem. Thermodyn., 1979, 11, 491-495. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]
Ambrose, Ellender, et al., 1975
Ambrose, D.; Ellender, J.H.; Lees, E.B.; Sprake, C.H.S.; Townsend, R.,
Thermodynamic properties of organic oxygen compounds XXXVIII. Vapour pressures of some aliphatic ketones,
The Journal of Chemical Thermodynamics, 1975, 7, 5, 453-472, https://doi.org/10.1016/0021-9614(75)90275-X
. [all data]
Meyer and Wagner, 1966
Meyer, Edwin F.; Wagner, Robert E.,
Cohesive Energies in Polar Organic Liquids,
J. Phys. Chem., 1966, 70, 10, 3162-3168, https://doi.org/10.1021/j100882a025
. [all data]
Stull, 1947
Stull, Daniel R.,
Vapor Pressure of Pure Substances. Organic and Inorganic Compounds,
Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022
. [all data]
Vilalta, Hammond, et al., 1993, 2
Vilalta, Patricia M.; Hammond, George S.; Weiss, Richard G.,
Determination of the solubilization sites afforded by smectic phases of (perfluorodecyl)decane [F(CF2)10(CH2)10H] to some linear ketones undergoing the Norrish II photoreactions,
Langmuir, 1993, 9, 7, 1910-1921, https://doi.org/10.1021/la00031a046
. [all data]
Buttery, Ling, et al., 1969
Buttery, R.G.; Ling, L.C.; Guadagni, D.G.,
Volatilities Aldehydes, Ketones, and Esters in Dilute Water Solution,
J. Agric. Food Chem., 1969, 17, 385-389. [all data]
Nowakowska, White, et al., 1988
Nowakowska, M.; White, B.; Guillet, J.E.,
Studies of the antenna effect in polymer molecules. 11. Photochemical reactions of 2-undecanone solubilized in an aqueous solution of poly(sodium styrenesulfonate-co-2-vinylnaphthalene),
Macromolecules, 1988, 21, 3430-3437. [all data]
Notes
Go To: Top, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - 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.