1-Undecanol
- Formula: C11H24O
- Molecular weight: 172.3077
- IUPAC Standard InChIKey: KJIOQYGWTQBHNH-UHFFFAOYSA-N
- CAS Registry Number: 112-42-5
- 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: Undecyl alcohol; n-Undecan-1-ol; n-Undecanol; n-Undecyl alcohol; Hendecanoic alcohol; Hendecyl alcohol; 1-Hendecanol; Alcohol c-11; n-Hendecylenic alcohol; Undecanol-(1); Tip-Nip; Undecanol; Decyl carbinol; Neodol 1; Undecan-1-ol; 1-Undecyl alcohol; NSC 403667
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- 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.
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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -504.9 ± 0.8 | kJ/mol | Ccb | Mosselman and Dekker, 1975 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -7253.7 ± 0.8 | kJ/mol | Ccb | Mosselman and Dekker, 1975 | Corresponding ΔfHºliquid = -504.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
406.8 | 303.15 | Khasanshin and Zykova, 1989 | T = 293 to 513 K.; DH |
406.34 | 298.15 | Andreoli-Ball, Patterson, et al., 1988 | DH |
414.8 | 303.65 | Naziev, Balalov, et al., 1987 | T = 303 to 500 K. p = 0.1 MPa. Unsmoothed experimental datum given as 2.407 kJ/kg*K. Cp data given from 303.65 to 523.15 K for the pressure range 2.5 to 50 MPa.; DH |
419.8 | 303. | Vasil'ev, Petrov, et al., 1982 | T = 303 to 508 K.; DH |
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
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 288.45 | K | N/A | Gaikwad and Subrahmanyam, 1985 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 289.65 | K | N/A | McKenna, Tartar, et al., 1953 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 704. ± 1. | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 21.5 ± 0.5 | bar | N/A | Gude and Teja, 1995 | |
Pc | 21.47 | bar | N/A | Rosenthal and Teja, 1990 | Uncertainty assigned by TRC = 0.30 bar; TRC |
Pc | 21.47 | bar | N/A | Rosenthal and Teja, 1989 | Uncertainty assigned by TRC = 0.30 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.718 | l/mol | N/A | Gude and Teja, 1995 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 1.39 ± 0.05 | mol/l | N/A | Gude and Teja, 1995 | |
ρc | 1.39 | mol/l | N/A | Anselme and Teja, 1990 | TRC |
ρc | 1.39 | mol/l | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 85.8 ± 2.1 | kJ/mol | CGC | Nichols, Kweskin, et al., 2006 | AC |
ΔvapH° | 84.7 | kJ/mol | GS | Kulikov, Verevkin, et al., 2001 | Based on data from 313. to 354. K.; AC |
ΔvapH° | 83.5 | kJ/mol | N/A | N'Guimbi, Berro, et al., 1999 | Based on data from 283. to 393. K.; AC |
ΔvapH° | 86.8 | kJ/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 373. to 423. K.; AC |
ΔvapH° | 85.6 | kJ/mol | CGC | Koutek, Hoskovec, et al., 1994 | Based on data from 353. to 393. K. See also Ova, Koultek, et al., 2000.; AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
419.2 | 0.040 | Aldrich Chemical Company Inc., 1990 | BS |
404.2 | 0.020 | Weast and Grasselli, 1989 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
79.5 | 336. | GS | Kulikov, Verevkin, et al., 2001 | Based on data from 313. to 354. K.; AC |
83.6 | 318. | N/A | N'Guimbi, Kasehgari, et al., 1992 | Based on data from 293. to 342. K.; AC |
68.7 | 408. | A | Stephenson and Malanowski, 1987 | Based on data from 393. to 523. K.; AC |
68.5 | 408. | A | Stephenson and Malanowski, 1987 | Based on data from 393. to 534. K.; AC |
72.3 | 408. | N/A | Wilhoit and Zwolinski, 1973 | Based on data from 393. to 516. K.; AC |
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
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 | 114087 |
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.
Mosselman and Dekker, 1975
Mosselman, C.; Dekker, H.,
Enthalpies of formation of n-alkan-1-ols,
J. Chem. Soc. Faraday Trans. 1, 1975, 417-424. [all data]
Khasanshin and Zykova, 1989
Khasanshin, T.S.; Zykova, T.B.,
Specific heat of saturated monatomic alcohols,
Inzh. -Fiz. Zhur., 1989, 56(6), 991-994. [all data]
Andreoli-Ball, Patterson, et al., 1988
Andreoli-Ball, L.; Patterson, D.; Costas, M.; Caceres-Alonso, M.,
Heat capacity and corresponding states in alkan-1-ol-n-alkane systems, J. Chem. Soc.,
Faraday Trans. 1, 1988, 84(11), 3991-4012. [all data]
Naziev, Balalov, et al., 1987
Naziev, Ya.M.; Balalov, Yu.A.; Bashirov, M.M.,
Investigation of the isobaric heat capacity of n-undecyl alcohol at high pressures, Izv. Vyssh. Ucheb. Zaved.,
Neft i Gas, 1987, 30(5), 59-62. [all data]
Vasil'ev, Petrov, et al., 1982
Vasil'ev, I.A.; Petrov, V.M.; Treibsho, E.I.,
Study of the specific heat of some liquid higher alcohols,
Zhur. Priklad. Khim., 1982, 55, 2116-2117. [all data]
Gaikwad and Subrahmanyam, 1985
Gaikwad, B.R.; Subrahmanyam, V.V.,
Melting behavior of fatty alcohols and their binary blends.,
J. Indian Chem. Soc., 1985, 62, 513. [all data]
McKenna, Tartar, et al., 1953
McKenna, F.E.; Tartar, H.V.; Lingafelter, E.C.,
Studies of hemiacetal formation in alcohol - aldehyde systems: II refraction studies,
J. Am. Chem. Soc., 1953, 75, 604-7. [all data]
Gude and Teja, 1995
Gude, M.; Teja, A.S.,
Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols,
J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]
Rosenthal and Teja, 1990
Rosenthal, D.J.; Teja, A.S.,
The Critical Pressures and temperatures of Isomeric Alkanols,
Ind. Eng. Chem. to be published 1990 1990, 1990. [all data]
Rosenthal and Teja, 1989
Rosenthal, D.J.; Teja, A.S.,
Critical pressures and temperatures of isomeric alkanols,
Ind. Eng. Chem. Res., 1989, 28, 1693. [all data]
Anselme and Teja, 1990
Anselme, M.J.; Teja, A.S.,
The critical temp. & densities of the n-alkanes from pentane to octadecane,
AIChE Symp. Ser., 1990, 86, 279, 122-7. [all data]
Teja and Anselme, 1990
Teja, A.S.; Anselme, M.J.,
The critical properties of thermally stable and unstable fluids. II. 1986 results,
AIChE Symp. Ser., 1990, 86, 279, 122-7. [all data]
Nichols, Kweskin, et al., 2006
Nichols, Gary; Kweskin, Sasha; Frericks, Margaret; Reiter, Sarah; Wang, Gin; Orf, Jennifer; Carvallo, Brett; Hillesheim, Dorothea; Chickos, James,
Evaluation of the Vaporization, Fusion, and Sublimation Enthalpies of the 1-Alkanols: The Vaporization Enthalpy of 1-, 6-, 7-, and 9-Heptadecanol, 1-Octadecanol, 1-Eicosanol, 1-Docosanol, 1-Hexacosanol, and Cholesterol at T = 298.15 K by Correlation Gas Chromatography,
J. Chem. Eng. Data, 2006, 51, 2, 475-482, https://doi.org/10.1021/je0503857
. [all data]
Kulikov, Verevkin, et al., 2001
Kulikov, Dmitry; Verevkin, Sergey P.; Heintz, Andreas,
Enthalpies of vaporization of a series of aliphatic alcohols,
Fluid Phase Equilibria, 2001, 192, 1-2, 187-207, https://doi.org/10.1016/S0378-3812(01)00633-1
. [all data]
N'Guimbi, Berro, et al., 1999
N'Guimbi, J.; Berro, C.; Mokbel, I.; Rauzy, E.; Jose, J.,
Experimental vapour pressures of 13 secondary and tertiary alcohols---correlation and prediction by a group contribution method,
Fluid Phase Equilibria, 1999, 162, 1-2, 143-158, https://doi.org/10.1016/S0378-3812(99)00168-5
. [all data]
Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G.,
Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times,
Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3
. [all data]
Koutek, Hoskovec, et al., 1994
Koutek, Bohumír; Hoskovec, Michal; Vrkocová, Pavlína; Konecný, Karel; Feltl, Ladislav,
Gas chromatographic determination of vapour pressures of pheromone-like compounds II. Alcohols,
Journal of Chromatography A, 1994, 679, 2, 307-317, https://doi.org/10.1016/0021-9673(94)80573-3
. [all data]
Ova, Koultek, et al., 2000
Ova, P.V.; Koultek, B.; Hoskovec, M.,
Practice Oriented Results on Use and Production of Neem Ingredients and Pheromones VI, H. Kleeberg and C.P.W. Zebitz, ed(s)., Druck and Graphic, Giessen, 2000, 211-218. [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]
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]
N'Guimbi, Kasehgari, et al., 1992
N'Guimbi, J.; Kasehgari, H.; Mokbel, I.; Jose, J.,
Tensions de vapeur d'alcools primaires dans le domaine 0,3 Pa à 1,5 kPa,
Thermochimica Acta, 1992, 196, 2, 367-377, https://doi.org/10.1016/0040-6031(92)80100-B
. [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]
Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J.,
Physical and thermodynamic properties of aliphatic alcohols,
J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 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 Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Vc Critical volume ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions 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.